(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H21N5O2S2 — CID 6388761

IUPAC(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1nccc1/C=c1/sc2n(c1=O)C(c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2
InChIInChI=1S/C24H21N5O2S2/c1-3-28-17(11-12-25-28)14-19-23(31)29-21(18-10-7-13-32-18)20(15(2)26-24(29)33-19)22(30)27-16-8-5-4-6-9-16/h4-14,21H,3H2,1-2H3,(H,27,30)/b19-14+
InChIKeyYRIGCDUHWDDEQX-XMHGGMMESA-N
MW475.60 g/mol
LogP3.15
Rot. Bonds5

About (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 6388761) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID6388761
Molecular FormulaC24H21N5O2S2
Molecular Weight475.60 g/mol
Exact Mass475.11
IUPAC Name(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCn1nccc1/C=c1/sc2n(c1=O)C(c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2
InChIInChI=1S/C24H21N5O2S2/c1-3-28-17(11-12-25-28)14-19-23(31)29-21(18-10-7-13-32-18)20(15(2)26-24(29)33-19)22(30)27-16-8-5-4-6-9-16/h4-14,21H,3H2,1-2H3,(H,27,30)/b19-14+
InChIKeyYRIGCDUHWDDEQX-XMHGGMMESA-N
XLogP3.15
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2Z,5R)-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5455766
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6089689
(2E,5R)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-2-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 1278372
(2E,5S)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793240
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 21208331
(2E,5S)-7-methyl-2-[[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene]-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98094040
(2E,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 35793173
(2Z,5R)-7-methyl-3-oxo-N,5-diphenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42100595
2-[2-bromo-4-[[(5R)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
CID 129444837
2-[2-bromo-4-[[(5S)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
CID 129444838
(2E,5R)-7-methyl-2-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126063715
(2Z,5S)-2-[(3,5-diiodo-4-propan-2-yloxyphenyl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 9498347

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 6388761) is (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCn1nccc1/C=c1/sc2n(c1=O)C(c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2.
What is the InChIKey of (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YRIGCDUHWDDEQX-XMHGGMMESA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-3-28-17(11-12-25-28)14-19-23(31)29-21(18-10-7-13-32-18)20(15(2)26-24(29)33-19)22(30)27-16-8-5-4-6-9-16/h4-14,21H,3H2,1-2H3,(H,27,30)/b19-14+.
What are the key properties of (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-N-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 6388761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).