N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C9H8N4OS — CID 147075605

IUPACN-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C9H8N4OS/c1-10-8(14)6-5-13-9(15-6)7-11-3-2-4-12-7/h2-5H,1H3,(H,10,14)
InChIKeyBFXBALUHUCJLKD-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.96
Rot. Bonds2

About N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 147075605) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID147075605
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC NameN-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C9H8N4OS/c1-10-8(14)6-5-13-9(15-6)7-11-3-2-4-12-7/h2-5H,1H3,(H,10,14)
InChIKeyBFXBALUHUCJLKD-UHFFFAOYSA-N
XLogP0.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 147075605) is N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BFXBALUHUCJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-10-8(14)6-5-13-9(15-6)7-11-3-2-4-12-7/h2-5H,1H3,(H,10,14).
What are the key properties of N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 147075605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).