N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride

C10H16ClN4O2S- — CID 53347078

IUPACN-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[H]/N=c1\sccn1CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H16N4O2S.ClH/c1-10(2,3)13-9(16)12-7(15)6-14-4-5-17-8(14)11;/h4-5,11H,6H2,1-3H3,(H2,12,13,15,16);1H/p-1/b11-8-;
InChIKeyNXQMOLPXZMNLRD-MKFZHGHUSA-M
MW291.78 g/mol
LogP-2.34
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride

N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (PubChem CID 53347078) has the molecular formula C10H16ClN4O2S- and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
PubChem CID53347078
Molecular FormulaC10H16ClN4O2S-
Molecular Weight291.78 g/mol
Exact Mass291.07
IUPAC NameN-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[H]/N=c1\sccn1CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C10H16N4O2S.ClH/c1-10(2,3)13-9(16)12-7(15)6-14-4-5-17-8(14)11;/h4-5,11H,6H2,1-3H3,(H2,12,13,15,16);1H/p-1/b11-8-;
InChIKeyNXQMOLPXZMNLRD-MKFZHGHUSA-M
XLogP-2.34
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 2701258
N-(4,5-dimethyl-2-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53350739
2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5168236
N-(4,5-dimethyl-2-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3895466
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53351047
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 10849242
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313
1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
CID 24801363
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (CID 53347078) is N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride is [Cl-].[H]/N=c1\sccn1CC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The InChIKey is NXQMOLPXZMNLRD-MKFZHGHUSA-M. The full InChI is InChI=1S/C10H16N4O2S.ClH/c1-10(2,3)13-9(16)12-7(15)6-14-4-5-17-8(14)11;/h4-5,11H,6H2,1-3H3,(H2,12,13,15,16);1H/p-1/b11-8-;.
What are the key properties of N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride has a molecular weight of 291.78 g/mol, XLogP of -2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride is sourced from PubChem (CID 53347078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).