4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C17H17N5OS2 — CID 71794931

IUPAC4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H17N5OS2/c1-11-15(25-17(20-11)12-5-4-8-24-12)16(23)21-13-9-14(19-10-18-13)22-6-2-3-7-22/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,21,23)
InChIKeyPZSJVABEXGBEFN-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.82
Rot. Bonds4

About 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71794931) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71794931
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H17N5OS2/c1-11-15(25-17(20-11)12-5-4-8-24-12)16(23)21-13-9-14(19-10-18-13)22-6-2-3-7-22/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,21,23)
InChIKeyPZSJVABEXGBEFN-UHFFFAOYSA-N
XLogP3.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90545664
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
4-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39966448
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-(5-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18206899
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052558
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 30183975
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 71794931) is 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PZSJVABEXGBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-11-15(25-17(20-11)12-5-4-8-24-12)16(23)21-13-9-14(19-10-18-13)22-6-2-3-7-22/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19,21,23).
What are the key properties of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71794931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).