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

C19H19N5OS — CID 91967888

IUPAC4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H19N5OS/c1-13-16(26-18(22-13)14-7-3-2-4-8-14)17(25)23-15-11-20-19(21-12-15)24-9-5-6-10-24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,23,25)
InChIKeyDXVMUJWQRCRUNK-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.76
Rot. Bonds4

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

4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 91967888) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID91967888
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C19H19N5OS/c1-13-16(26-18(22-13)14-7-3-2-4-8-14)17(25)23-15-11-20-19(21-12-15)24-9-5-6-10-24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,23,25)
InChIKeyDXVMUJWQRCRUNK-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (CID 91967888) is 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DXVMUJWQRCRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-13-16(26-18(22-13)14-7-3-2-4-8-14)17(25)23-15-11-20-19(21-12-15)24-9-5-6-10-24/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,23,25).
What are the key properties of 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91967888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).