2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone

C17H16ClN3OS2 — CID 169147921

IUPAC2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone
SMILESCc1cc(-c2cncs2)c2c3c(sc2c1Cl)CN(C(=O)CN)CC3
InChIInChI=1S/C17H16ClN3OS2/c1-9-4-11(12-6-20-8-23-12)15-10-2-3-21(14(22)5-19)7-13(10)24-17(15)16(9)18/h4,6,8H,2-3,5,7,19H2,1H3
InChIKeyOADCTGRALKVYPS-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.83
Rot. Bonds2

About 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone

2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone (PubChem CID 169147921) has the molecular formula C17H16ClN3OS2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone
PubChem CID169147921
Molecular FormulaC17H16ClN3OS2
Molecular Weight377.92 g/mol
Exact Mass377.04
IUPAC Name2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone
SMILESCc1cc(-c2cncs2)c2c3c(sc2c1Cl)CN(C(=O)CN)CC3
InChIInChI=1S/C17H16ClN3OS2/c1-9-4-11(12-6-20-8-23-12)15-10-2-3-21(14(22)5-19)7-13(10)24-17(15)16(9)18/h4,6,8H,2-3,5,7,19H2,1H3
InChIKeyOADCTGRALKVYPS-UHFFFAOYSA-N
XLogP3.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(7,8-dichloro-5-hydroxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)ethanone
CID 169147853
2-amino-1-[5-[[(E)-3-amino-2-(methylamino)prop-2-enylidene]amino]-7,8-dichloro-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone
CID 169147931
1-(6,7-dichloro-9-pyrimidin-5-yl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)-2-hydroxyethanone
CID 169147914
ethyl 5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 58001400
1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl]-2-hydroxyethanone
CID 169147824
2-chloro-1-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 171327857
2-amino-1-[6,7-dichloro-5-methyl-9-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethanone;ethane
CID 169147834
ethyl 4-(4-chlorophenyl)-6-[(2,5-dimethylphenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
CID 2135642
ethyl 3,5-bis[(2-ethoxy-2-oxoethyl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxylate
CID 3529467
11-acetyl-5-benzylsulfanyl-4-(3-chloro-4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22424164
4-[2-(dimethylamino)ethyl]-11-(3,3-dimethylbutanoyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 42794432
ethyl 4-benzyl-6-[(2-methylphenyl)methyl]-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
CID 15944875

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone?
The IUPAC name of 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone (CID 169147921) is 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone is Cc1cc(-c2cncs2)c2c3c(sc2c1Cl)CN(C(=O)CN)CC3.
What is the InChIKey of 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone?
The InChIKey is OADCTGRALKVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS2/c1-9-4-11(12-6-20-8-23-12)15-10-2-3-21(14(22)5-19)7-13(10)24-17(15)16(9)18/h4,6,8H,2-3,5,7,19H2,1H3.
What are the key properties of 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone?
2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone has a molecular weight of 377.92 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[8-chloro-7-methyl-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 169147921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).