N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide

C18H20N4O2S — CID 176646543

IUPACN-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
SMILESCOc1cc(-c2cnc(NC(=O)C3CCCN(C)C3)s2)ccc1C#N
InChIInChI=1S/C18H20N4O2S/c1-22-7-3-4-14(11-22)17(23)21-18-20-10-16(25-18)12-5-6-13(9-19)15(8-12)24-2/h5-6,8,10,14H,3-4,7,11H2,1-2H3,(H,20,21,23)
InChIKeyMBBMPCNPRZCUHQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.97
Rot. Bonds4

About N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide

N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide (PubChem CID 176646543) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
PubChem CID176646543
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
SMILESCOc1cc(-c2cnc(NC(=O)C3CCCN(C)C3)s2)ccc1C#N
InChIInChI=1S/C18H20N4O2S/c1-22-7-3-4-14(11-22)17(23)21-18-20-10-16(25-18)12-5-6-13(9-19)15(8-12)24-2/h5-6,8,10,14H,3-4,7,11H2,1-2H3,(H,20,21,23)
InChIKeyMBBMPCNPRZCUHQ-UHFFFAOYSA-N
XLogP2.97
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 168925562
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3S)-1-cyano-N-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980931
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
(3S)-1-ethynyl-N-[5-(4-ethynylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 155644150

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide (CID 176646543) is N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide is COc1cc(-c2cnc(NC(=O)C3CCCN(C)C3)s2)ccc1C#N.
What is the InChIKey of N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide?
The InChIKey is MBBMPCNPRZCUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-22-7-3-4-14(11-22)17(23)21-18-20-10-16(25-18)12-5-6-13(9-19)15(8-12)24-2/h5-6,8,10,14H,3-4,7,11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide?
N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 176646543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).