hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride

C14H15ClN4O2S — CID 50986698

IUPAChydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride
SMILESCC(C)OC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1.[Cl-].[H+]
InChIInChI=1S/C14H14N4O2S.ClH/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12;/h3-8H,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyKHOHHQHXCWDDFA-UHFFFAOYSA-N
MW338.82 g/mol
LogP0.76
Rot. Bonds3

About hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride

hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride (PubChem CID 50986698) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride.

Molecular Properties

Compound Namehydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride
PubChem CID50986698
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Namehydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride
SMILESCC(C)OC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1.[Cl-].[H+]
InChIInChI=1S/C14H14N4O2S.ClH/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12;/h3-8H,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyKHOHHQHXCWDDFA-UHFFFAOYSA-N
XLogP0.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Thiabendazole
CID 5430
Cambendazole
CID 33309
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
1H-Benzimidazole, 2-(4-thiazolyl)-, hydrochloride (1:?)
CID 88101
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-N'-1,3-thiazol-2-ylurea
CID 893490
1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea
CID 122179934
2-anilino-N-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 168283844
Carbamic acid, (2-(4-thiazolyl)-1H-benzimidazol-5-yl)-, ethyl ester
CID 326899
4-(5-Nitro-1H-benzo[d]imidazol-2-yl)thiazole
CID 11557818
6-Isothiocyanato-2-(1,3-thiazol-4-yl)-1H-benzimidazole
CID 71356281
4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine
CID 122179935
butyl N-[6-(dimethylamino)-2-thiophen-2-yl-3H-benzimidazol-5-yl]carbamate
CID 162664452

Frequently Asked Questions

What is the IUPAC name of hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride?
The IUPAC name of hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride (CID 50986698) is hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride.
What is the SMILES notation for hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride?
The canonical SMILES for hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride is CC(C)OC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1.[Cl-].[H+].
What is the InChIKey of hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride?
The InChIKey is KHOHHQHXCWDDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S.ClH/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12;/h3-8H,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride?
hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride has a molecular weight of 338.82 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;propan-2-yl N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]carbamate;chloride is sourced from PubChem (CID 50986698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).