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

C16H20N4O2S — CID 110117829

IUPAC4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C16H20N4O2S/c1-11-13(23-10-20-11)14(21)17-7-12-8-18-15(19-9-12)16(2)5-3-4-6-22-16/h8-10H,3-7H2,1-2H3,(H,17,21)
InChIKeyUUJYMAWFNGZJFY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.59
Rot. Bonds4

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

4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 110117829) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID110117829
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C16H20N4O2S/c1-11-13(23-10-20-11)14(21)17-7-12-8-18-15(19-9-12)16(2)5-3-4-6-22-16/h8-10H,3-7H2,1-2H3,(H,17,21)
InChIKeyUUJYMAWFNGZJFY-UHFFFAOYSA-N
XLogP2.59
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 110117829) is 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1.
What is the InChIKey of 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UUJYMAWFNGZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-13(23-10-20-11)14(21)17-7-12-8-18-15(19-9-12)16(2)5-3-4-6-22-16/h8-10H,3-7H2,1-2H3,(H,17,21).
What are the key properties of 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110117829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).