N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C18H21ClN4OS2 — CID 33325060

IUPACN-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H21ClN4OS2/c1-4-8-23-16-7-6-13(19)9-15(16)21-18(23)26-11-14-10-25-17(20-14)22(5-2)12(3)24/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyAFYQYPPKZPBUMH-UHFFFAOYSA-N
MW408.98 g/mol
LogP5.22
Rot. Bonds7

About N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 33325060) has the molecular formula C18H21ClN4OS2 and a molecular weight of 408.98 g/mol. Its IUPAC name is N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID33325060
Molecular FormulaC18H21ClN4OS2
Molecular Weight408.98 g/mol
Exact Mass408.08
IUPAC NameN-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2cc(Cl)ccc21
InChIInChI=1S/C18H21ClN4OS2/c1-4-8-23-16-7-6-13(19)9-15(16)21-18(23)26-11-14-10-25-17(20-14)22(5-2)12(3)24/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyAFYQYPPKZPBUMH-UHFFFAOYSA-N
XLogP5.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.98
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
3-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 55989182
N-[4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31679905
2-[5-chloro-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 62640374
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 112785367
N-[4-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 42980942
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459
5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 46479460
N-[4-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 31209607
5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46539013
3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-2-aminopropanoic acid
CID 43386119

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 33325060) is N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCCn1c(SCc2csc(N(CC)C(C)=O)n2)nc2cc(Cl)ccc21.
What is the InChIKey of N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is AFYQYPPKZPBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS2/c1-4-8-23-16-7-6-13(19)9-15(16)21-18(23)26-11-14-10-25-17(20-14)22(5-2)12(3)24/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 408.98 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 33325060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).