N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

C16H22ClN3OS — CID 42914748

IUPACN-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H21N3OS.ClH/c1-16(2,3)19(11-13-7-5-4-6-8-13)14(20)12-18-9-10-21-15(18)17;/h4-10,17H,11-12H2,1-3H3;1H/b17-15-;
InChIKeyGNPAFXOHEJTMPH-NYDCQJDFSA-N
MW339.89 g/mol
LogP3.28
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (PubChem CID 42914748) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
PubChem CID42914748
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC NameN-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H21N3OS.ClH/c1-16(2,3)19(11-13-7-5-4-6-8-13)14(20)12-18-9-10-21-15(18)17;/h4-10,17H,11-12H2,1-3H3;1H/b17-15-;
InChIKeyGNPAFXOHEJTMPH-NYDCQJDFSA-N
XLogP3.28
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride
CID 11834405
ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
CID 91481035
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53314557
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
CID 54773454
N-benzyl-N-tert-butyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18195203
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 3568385
N-benzyl-N-tert-butyl-2-(4-chloropyrazol-1-yl)acetamide
CID 52731675
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (CID 42914748) is N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The InChIKey is GNPAFXOHEJTMPH-NYDCQJDFSA-N. The full InChI is InChI=1S/C16H21N3OS.ClH/c1-16(2,3)19(11-13-7-5-4-6-8-13)14(20)12-18-9-10-21-15(18)17;/h4-10,17H,11-12H2,1-3H3;1H/b17-15-;.
What are the key properties of N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 42914748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).