tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate

C16H18N4O2S — CID 142043040

IUPACtert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)22-15(21)20(4)14-19-12(9-23-14)13-17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H,17,18)
InChIKeyNHPRVQUSKXMPQW-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.06
Rot. Bonds2

About tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate

tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate (PubChem CID 142043040) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
PubChem CID142043040
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Nametert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)22-15(21)20(4)14-19-12(9-23-14)13-17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H,17,18)
InChIKeyNHPRVQUSKXMPQW-UHFFFAOYSA-N
XLogP4.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
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tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
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N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
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methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate (CID 142043040) is tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nc(-c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate?
The InChIKey is NHPRVQUSKXMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-16(2,3)22-15(21)20(4)14-19-12(9-23-14)13-17-10-7-5-6-8-11(10)18-13/h5-9H,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate?
tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate has a molecular weight of 330.41 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-N-methylcarbamate is sourced from PubChem (CID 142043040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).