N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C17H19N5OS2 — CID 167953503

IUPACN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc(N(C)C(=O)C2CCCN2c2ncnc3sc(C)cc23)s1
InChIInChI=1S/C17H19N5OS2/c1-10-7-12-14(19-9-20-15(12)24-10)22-6-4-5-13(22)16(23)21(3)17-18-8-11(2)25-17/h7-9,13H,4-6H2,1-3H3
InChIKeyPNGCIQKKBLBFCS-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.40
Rot. Bonds3

About N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 167953503) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID167953503
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc(N(C)C(=O)C2CCCN2c2ncnc3sc(C)cc23)s1
InChIInChI=1S/C17H19N5OS2/c1-10-7-12-14(19-9-20-15(12)24-10)22-6-4-5-13(22)16(23)21(3)17-18-8-11(2)25-17/h7-9,13H,4-6H2,1-3H3
InChIKeyPNGCIQKKBLBFCS-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexylmethyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 133382268
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070440
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
N-[(4-methylphenyl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 166342696
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
1-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 42933881
4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407661
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 167953503) is N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is Cc1cnc(N(C)C(=O)C2CCCN2c2ncnc3sc(C)cc23)s1.
What is the InChIKey of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is PNGCIQKKBLBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-10-7-12-14(19-9-20-15(12)24-10)22-6-4-5-13(22)16(23)21(3)17-18-8-11(2)25-17/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167953503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).