N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H13N3O2S2 — CID 94797229

IUPACN-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C15H13N3O2S2/c1-9(17-15(20)13-3-2-6-21-13)14(19)18-10-4-5-12-11(7-10)16-8-22-12/h2-9H,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyBTORFEUHYKYKFL-SECBINFHSA-N
MW331.42 g/mol
LogP3.11
Rot. Bonds4

About N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 94797229) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID94797229
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C15H13N3O2S2/c1-9(17-15(20)13-3-2-6-21-13)14(19)18-10-4-5-12-11(7-10)16-8-22-12/h2-9H,1H3,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyBTORFEUHYKYKFL-SECBINFHSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide 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

N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 94797229) is N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BTORFEUHYKYKFL-SECBINFHSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9(17-15(20)13-3-2-6-21-13)14(19)18-10-4-5-12-11(7-10)16-8-22-12/h2-9H,1H3,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 94797229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).