[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate

C16H12N4O4S — CID 90300918

IUPAC[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate
SMILESCc1nc(NC(=O)c2cnc(-c3ccccc3)nc2)sc1OC(=O)O
InChIInChI=1S/C16H12N4O4S/c1-9-14(24-16(22)23)25-15(19-9)20-13(21)11-7-17-12(18-8-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,22,23)(H,19,20,21)
InChIKeyQPSIOOGINJLWCM-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.22
Rot. Bonds4

About [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate

[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate (PubChem CID 90300918) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate
PubChem CID90300918
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC Name[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate
SMILESCc1nc(NC(=O)c2cnc(-c3ccccc3)nc2)sc1OC(=O)O
InChIInChI=1S/C16H12N4O4S/c1-9-14(24-16(22)23)25-15(19-9)20-13(21)11-7-17-12(18-8-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,22,23)(H,19,20,21)
InChIKeyQPSIOOGINJLWCM-UHFFFAOYSA-N
XLogP3.22
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
CID 39189291
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 51094948
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
N-(6,7-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;ethane
CID 154659407
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate?
The IUPAC name of [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate (CID 90300918) is [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate?
The canonical SMILES for [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate is Cc1nc(NC(=O)c2cnc(-c3ccccc3)nc2)sc1OC(=O)O.
What is the InChIKey of [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate?
The InChIKey is QPSIOOGINJLWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c1-9-14(24-16(22)23)25-15(19-9)20-13(21)11-7-17-12(18-8-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate?
[4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate has a molecular weight of 356.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(2-phenylpyrimidine-5-carbonyl)amino]-1,3-thiazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 90300918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).