N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide

C16H15N3O2S2 — CID 30370193

IUPACN-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C16H15N3O2S2/c20-14(13-7-3-10-22-13)17-8-4-9-18-15(21)16-19-11-5-1-2-6-12(11)23-16/h1-3,5-7,10H,4,8-9H2,(H,17,20)(H,18,21)
InChIKeySGJXVRRGNSBAEO-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide

N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 30370193) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
PubChem CID30370193
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C16H15N3O2S2/c20-14(13-7-3-10-22-13)17-8-4-9-18-15(21)16-19-11-5-1-2-6-12(11)23-16/h1-3,5-7,10H,4,8-9H2,(H,17,20)(H,18,21)
InChIKeySGJXVRRGNSBAEO-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 71808130
N-[1-[3-(1,3-benzothiazol-2-yl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432293
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
N-[3-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31424059
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
N-[4-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208698
N-[4-(3-nitro-1,2,4-triazol-1-yl)butyl]-1,3-benzothiazole-2-carboxamide
CID 118722908

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide (CID 30370193) is N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide is O=C(NCCCNC(=O)c1nc2ccccc2s1)c1cccs1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is SGJXVRRGNSBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-14(13-7-3-10-22-13)17-8-4-9-18-15(21)16-19-11-5-1-2-6-12(11)23-16/h1-3,5-7,10H,4,8-9H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide?
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 30370193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).