4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 164633040

IUPAC4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC[C@H]1CCCN1c1ncccn1
InChIInChI=1S/C14H17N5OS/c1-10-12(21-9-18-10)13(20)17-8-11-4-2-7-19(11)14-15-5-3-6-16-14/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyXRCDJDACWMQJNW-LLVKDONJSA-N
MW303.39 g/mol
LogP1.64
Rot. Bonds4

About 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 164633040) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID164633040
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC[C@H]1CCCN1c1ncccn1
InChIInChI=1S/C14H17N5OS/c1-10-12(21-9-18-10)13(20)17-8-11-4-2-7-19(11)14-15-5-3-6-16-14/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyXRCDJDACWMQJNW-LLVKDONJSA-N
XLogP1.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 164633040) is 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC[C@H]1CCCN1c1ncccn1.
What is the InChIKey of 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XRCDJDACWMQJNW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-12(21-9-18-10)13(20)17-8-11-4-2-7-19(11)14-15-5-3-6-16-14/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164633040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).