N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

C18H15N5O2S2 — CID 45497627

IUPACN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N5O2S2/c24-16(19-8-15-21-13-3-1-2-4-14(13)22-15)7-12-10-27-18(20-12)23-17(25)11-5-6-26-9-11/h1-6,9-10H,7-8H2,(H,19,24)(H,21,22)(H,20,23,25)
InChIKeyWYSGVZWATFEPQE-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 45497627) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID45497627
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N5O2S2/c24-16(19-8-15-21-13-3-1-2-4-14(13)22-15)7-12-10-27-18(20-12)23-17(25)11-5-6-26-9-11/h1-6,9-10H,7-8H2,(H,19,24)(H,21,22)(H,20,23,25)
InChIKeyWYSGVZWATFEPQE-UHFFFAOYSA-N
XLogP3.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 45497594
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N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
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CID 751095
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123515
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 45497627) is N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is WYSGVZWATFEPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c24-16(19-8-15-21-13-3-1-2-4-14(13)22-15)7-12-10-27-18(20-12)23-17(25)11-5-6-26-9-11/h1-6,9-10H,7-8H2,(H,19,24)(H,21,22)(H,20,23,25).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45497627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).