N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 156586208

IUPACN-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C(C)C)nc2C)ncn1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-16-8(3)11(20-13)12(18)17-9-5-10(19-4)15-6-14-9/h5-7H,1-4H3,(H,14,15,17,18)
InChIKeyUNDYTYUENNYXAH-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.63
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 156586208) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID156586208
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(C(C)C)nc2C)ncn1
InChIInChI=1S/C13H16N4O2S/c1-7(2)13-16-8(3)11(20-13)12(18)17-9-5-10(19-4)15-6-14-9/h5-7H,1-4H3,(H,14,15,17,18)
InChIKeyUNDYTYUENNYXAH-UHFFFAOYSA-N
XLogP2.63
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxypyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71795732
N-(6-methoxypyrimidin-4-yl)-6-methylpyridine-2-carboxamide
CID 154805805
N-(3,4-dichlorophenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46450785
methyl 2-fluoro-5-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 75414818
N-[(1S,2R)-1-methoxy-1-(4-methoxyphenyl)propan-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97256126
2-(1-methoxyethyl)-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 71862191
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691117
7-[[2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-1,8-naphthyridine-3-carboxylic acid
CID 167944114
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
4-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46454338
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55686042

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 156586208) is N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(C(C)C)nc2C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UNDYTYUENNYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(2)13-16-8(3)11(20-13)12(18)17-9-5-10(19-4)15-6-14-9/h5-7H,1-4H3,(H,14,15,17,18).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156586208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).