3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C24H30N4O2S — CID 42828662

IUPAC3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2C1c1cccc(C)c1
InChIInChI=1S/C24H30N4O2S/c1-5-27(6-2)23(30)21-16(4)25-24-28(22(21)17-9-7-8-15(3)12-17)19(14-31-24)13-20(29)26-18-10-11-18/h7-9,12,14,18,22H,5-6,10-11,13H2,1-4H3,(H,26,29)
InChIKeyYWLHBKYWYHHAAH-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.11
Rot. Bonds7

About 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42828662) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42828662
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2C1c1cccc(C)c1
InChIInChI=1S/C24H30N4O2S/c1-5-27(6-2)23(30)21-16(4)25-24-28(22(21)17-9-7-8-15(3)12-17)19(14-31-24)13-20(29)26-18-10-11-18/h7-9,12,14,18,22H,5-6,10-11,13H2,1-4H3,(H,26,29)
InChIKeyYWLHBKYWYHHAAH-UHFFFAOYSA-N
XLogP4.11
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98369915
(5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357060
propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112247
(5R)-3-[2-(benzylamino)-2-oxoethyl]-N,N-diethyl-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358425
(5S)-3-[2-(benzylamino)-2-oxoethyl]-5-(4-chlorophenyl)-N,N-diethyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358434
(5R)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98357052
(5R)-N,N-diethyl-3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358203
methyl 3-[2-(benzylamino)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827930
N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827773
N,N-diethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827770
methyl (5R)-5-(3-fluorophenyl)-7-methyl-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98389483
methyl 7-methyl-5-(3-methylphenyl)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827938

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42828662) is 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CC3)N2C1c1cccc(C)c1.
What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YWLHBKYWYHHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-5-27(6-2)23(30)21-16(4)25-24-28(22(21)17-9-7-8-15(3)12-17)19(14-31-24)13-20(29)26-18-10-11-18/h7-9,12,14,18,22H,5-6,10-11,13H2,1-4H3,(H,26,29).
What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42828662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).