3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C17H17ClN2OS2 — CID 54773874

IUPAC3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C17H17ClN2OS2/c1-10(2)12-9-22-14(20-12)7-8-19-17(21)16-15(18)11-5-3-4-6-13(11)23-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyADAAQWFFUOOMDD-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.11
Rot. Bonds5

About 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 54773874) has the molecular formula C17H17ClN2OS2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID54773874
Molecular FormulaC17H17ClN2OS2
Molecular Weight364.92 g/mol
Exact Mass364.05
IUPAC Name3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCC(C)c1csc(CCNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C17H17ClN2OS2/c1-10(2)12-9-22-14(20-12)7-8-19-17(21)16-15(18)11-5-3-4-6-13(11)23-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)
InChIKeyADAAQWFFUOOMDD-UHFFFAOYSA-N
XLogP5.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
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CID 23613140
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
(2S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107833904
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
3-chloro-N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-1-benzothiophene-2-carboxamide
CID 40713816

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 54773874) is 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is CC(C)c1csc(CCNC(=O)c2sc3ccccc3c2Cl)n1.
What is the InChIKey of 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ADAAQWFFUOOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS2/c1-10(2)12-9-22-14(20-12)7-8-19-17(21)16-15(18)11-5-3-4-6-13(11)23-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 54773874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).