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

C14H13N5O2S — CID 47730450

IUPAC4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)no1
InChIInChI=1S/C14H13N5O2S/c1-8-6-10(19-21-8)7-17-13(20)11-9(2)18-14(22-11)12-15-4-3-5-16-12/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyOURNHMNLHMKFRB-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.13
Rot. Bonds4

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

4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47730450) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47730450
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)no1
InChIInChI=1S/C14H13N5O2S/c1-8-6-10(19-21-8)7-17-13(20)11-9(2)18-14(22-11)12-15-4-3-5-16-12/h3-6H,7H2,1-2H3,(H,17,20)
InChIKeyOURNHMNLHMKFRB-UHFFFAOYSA-N
XLogP2.13
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 47730450) is 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)no1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OURNHMNLHMKFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-8-6-10(19-21-8)7-17-13(20)11-9(2)18-14(22-11)12-15-4-3-5-16-12/h3-6H,7H2,1-2H3,(H,17,20).
What are the key properties of 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47730450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).