3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

C19H15ClN2O2S2 — CID 6972850

IUPAC3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C2=N[C@@H](NC(=O)c3sc4ccccc4c3Cl)SC2)c1
InChIInChI=1S/C19H15ClN2O2S2/c1-24-12-6-4-5-11(9-12)14-10-25-19(21-14)22-18(23)17-16(20)13-7-2-3-8-15(13)26-17/h2-9,19H,10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOTZDWTDVOMPXDA-IBGZPJMESA-N
MW402.93 g/mol
LogP4.81
Rot. Bonds4

About 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 6972850) has the molecular formula C19H15ClN2O2S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID6972850
Molecular FormulaC19H15ClN2O2S2
Molecular Weight402.93 g/mol
Exact Mass402.03
IUPAC Name3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(C2=N[C@@H](NC(=O)c3sc4ccccc4c3Cl)SC2)c1
InChIInChI=1S/C19H15ClN2O2S2/c1-24-12-6-4-5-11(9-12)14-10-25-19(21-14)22-18(23)17-16(20)13-7-2-3-8-15(13)26-17/h2-9,19H,10H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOTZDWTDVOMPXDA-IBGZPJMESA-N
XLogP4.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2S)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 6972849
3-chloro-N-[(1R,2R)-2-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]cyclohexyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2377769
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
3-chloro-N-cyclohexyl-6-methoxy-1-benzothiophene-2-carboxamide
CID 675724
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 23654864
3-chloro-N-[(4-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 968649
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 6972850) is 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is COc1cccc(C2=N[C@@H](NC(=O)c3sc4ccccc4c3Cl)SC2)c1.
What is the InChIKey of 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is OTZDWTDVOMPXDA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClN2O2S2/c1-24-12-6-4-5-11(9-12)14-10-25-19(21-14)22-18(23)17-16(20)13-7-2-3-8-15(13)26-17/h2-9,19H,10H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-4-(3-methoxyphenyl)-2,5-dihydro-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 6972850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).