4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C17H23N5OS — CID 126777534

IUPAC4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2scnc2C2CCCC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5OS/c1-11-8-13(21-17(20-11)22(2)3)9-18-16(23)15-14(19-10-24-15)12-6-4-5-7-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,23)
InChIKeyVRBDHJNTGPZWSY-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.90
Rot. Bonds5

About 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 126777534) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID126777534
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2scnc2C2CCCC2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5OS/c1-11-8-13(21-17(20-11)22(2)3)9-18-16(23)15-14(19-10-24-15)12-6-4-5-7-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,23)
InChIKeyVRBDHJNTGPZWSY-UHFFFAOYSA-N
XLogP2.90
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 126777534) is 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2scnc2C2CCCC2)nc(N(C)C)n1.
What is the InChIKey of 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VRBDHJNTGPZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-8-13(21-17(20-11)22(2)3)9-18-16(23)15-14(19-10-24-15)12-6-4-5-7-12/h8,10,12H,4-7,9H2,1-3H3,(H,18,23).
What are the key properties of 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126777534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).