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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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).