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

C14H13N5OS2 — CID 51089635

IUPAC4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2sc(-c3ncccn3)nc2C)cs1
InChIInChI=1S/C14H13N5OS2/c1-8-11(13(20)17-6-10-7-21-9(2)19-10)22-14(18-8)12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyKUSMHFYSCAXAOP-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.60
Rot. Bonds4

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

4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 51089635) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID51089635
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2sc(-c3ncccn3)nc2C)cs1
InChIInChI=1S/C14H13N5OS2/c1-8-11(13(20)17-6-10-7-21-9(2)19-10)22-14(18-8)12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20)
InChIKeyKUSMHFYSCAXAOP-UHFFFAOYSA-N
XLogP2.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-(3-aminopropyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119408938
3-[[(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 167969718
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 51088106
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25400607
4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55870412
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 56523982
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 51089635) is 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(CNC(=O)c2sc(-c3ncccn3)nc2C)cs1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KUSMHFYSCAXAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c1-8-11(13(20)17-6-10-7-21-9(2)19-10)22-14(18-8)12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20).
What are the key properties of 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51089635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).