N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide

C16H17ClN4OS — CID 75490365

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17ClN4OS/c1-9(2)14-13(21-16(17)23-14)15(22)18-8-7-12-19-10-5-3-4-6-11(10)20-12/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWSHZFAIYNSGNLO-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 75490365) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID75490365
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Cl)nc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17ClN4OS/c1-9(2)14-13(21-16(17)23-14)15(22)18-8-7-12-19-10-5-3-4-6-11(10)20-12/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWSHZFAIYNSGNLO-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 75490365) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(Cl)nc1C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WSHZFAIYNSGNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-9(2)14-13(21-16(17)23-14)15(22)18-8-7-12-19-10-5-3-4-6-11(10)20-12/h3-6,9H,7-8H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75490365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).