N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C20H16N6O2S2 — CID 121032745

IUPACN-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4ncccn4)n3)c2)cs1
InChIInChI=1S/C20H16N6O2S2/c1-12-23-16(11-29-12)13-4-2-5-14(8-13)24-17(27)9-15-10-30-20(25-15)26-19(28)18-21-6-3-7-22-18/h2-8,10-11H,9H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIVVVKKRSBMOBMY-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.80
Rot. Bonds6

About N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 121032745) has the molecular formula C20H16N6O2S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
PubChem CID121032745
Molecular FormulaC20H16N6O2S2
Molecular Weight436.52 g/mol
Exact Mass436.08
IUPAC NameN-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4ncccn4)n3)c2)cs1
InChIInChI=1S/C20H16N6O2S2/c1-12-23-16(11-29-12)13-4-2-5-14(8-13)24-17(27)9-15-10-30-20(25-15)26-19(28)18-21-6-3-7-22-18/h2-8,10-11H,9H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyIVVVKKRSBMOBMY-UHFFFAOYSA-N
XLogP3.80
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-(3-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032647
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CID 121032746
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032600
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
N-[4-[2-(diethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 121032745) is N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4ncccn4)n3)c2)cs1.
What is the InChIKey of N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
The InChIKey is IVVVKKRSBMOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S2/c1-12-23-16(11-29-12)13-4-2-5-14(8-13)24-17(27)9-15-10-30-20(25-15)26-19(28)18-21-6-3-7-22-18/h2-8,10-11H,9H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?
N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 121032745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).