N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

C20H20N4O2S2 — CID 172661454

IUPACN-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3nc(N)sc3C2)cc1NC(=O)c1sccc1C
InChIInChI=1S/C20H20N4O2S2/c1-11-3-4-13(9-15(11)22-18(25)17-12(2)6-8-27-17)19(26)24-7-5-14-16(10-24)28-20(21)23-14/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyUJGZSTLJNGHTMD-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.85
Rot. Bonds3

About N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 172661454) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID172661454
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N2CCc3nc(N)sc3C2)cc1NC(=O)c1sccc1C
InChIInChI=1S/C20H20N4O2S2/c1-11-3-4-13(9-15(11)22-18(25)17-12(2)6-8-27-17)19(26)24-7-5-14-16(10-24)28-20(21)23-14/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyUJGZSTLJNGHTMD-UHFFFAOYSA-N
XLogP3.85
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 56892412
N-(3-acetamido-4-methylphenyl)-2-(2-amino-1,3-benzothiazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706424
3-[2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1,1-difluoro-2-oxoethyl]-4-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 139302369
N-[5-(4-methyl-3-nitrobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526947
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70715252
N-[5-(3,4-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525984
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526956
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
(2-amino-1,3-benzothiazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 155498804

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (CID 172661454) is N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N2CCc3nc(N)sc3C2)cc1NC(=O)c1sccc1C.
What is the InChIKey of N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is UJGZSTLJNGHTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-11-3-4-13(9-15(11)22-18(25)17-12(2)6-8-27-17)19(26)24-7-5-14-16(10-24)28-20(21)23-14/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 172661454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).