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

C19H21N5O2S — CID 45497594

IUPACN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCC2)n1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N5O2S/c25-17(20-10-16-22-14-7-3-4-8-15(14)23-16)9-13-11-27-19(21-13)24-18(26)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,20,25)(H,22,23)(H,21,24,26)
InChIKeyNMUKBKFBLLOHOM-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.01
Rot. Bonds6

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

N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 45497594) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID45497594
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCCC2)n1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N5O2S/c25-17(20-10-16-22-14-7-3-4-8-15(14)23-16)9-13-11-27-19(21-13)24-18(26)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,20,25)(H,22,23)(H,21,24,26)
InChIKeyNMUKBKFBLLOHOM-UHFFFAOYSA-N
XLogP3.01
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 45497627
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 146024002
N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228240
N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568277
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29329184
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxopiperidine-3-carboxamide
CID 73338882
N-[2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55805860
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 45497594) is N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide is O=C(Cc1csc(NC(=O)C2CCCC2)n1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is NMUKBKFBLLOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-17(20-10-16-22-14-7-3-4-8-15(14)23-16)9-13-11-27-19(21-13)24-18(26)12-5-1-2-6-12/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,20,25)(H,22,23)(H,21,24,26).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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]cyclopentanecarboxamide is sourced from PubChem (CID 45497594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).