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

C15H15N5O2S — CID 47865795

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C15H15N5O2S/c1-8-11(10(3)22-20-8)7-18-14(21)12-9(2)19-15(23-12)13-16-5-4-6-17-13/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyDEAPUQQSVJBSIC-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.44
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 47865795) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID47865795
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C15H15N5O2S/c1-8-11(10(3)22-20-8)7-18-14(21)12-9(2)19-15(23-12)13-16-5-4-6-17-13/h4-6H,7H2,1-3H3,(H,18,21)
InChIKeyDEAPUQQSVJBSIC-UHFFFAOYSA-N
XLogP2.44
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 47865795) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DEAPUQQSVJBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-8-11(10(3)22-20-8)7-18-14(21)12-9(2)19-15(23-12)13-16-5-4-6-17-13/h4-6H,7H2,1-3H3,(H,18,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47865795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).