2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide

C13H22N4O2S — CID 71868853

IUPAC2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C13H22N4O2S/c1-6-14-12(19)17-10(18)7-15-13(4,5)11-16-8(2)9(3)20-11/h15H,6-7H2,1-5H3,(H2,14,17,18,19)
InChIKeyCQBNPWMGWOBAHN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds5

About 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide

2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide (PubChem CID 71868853) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide
PubChem CID71868853
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C13H22N4O2S/c1-6-14-12(19)17-10(18)7-15-13(4,5)11-16-8(2)9(3)20-11/h15H,6-7H2,1-5H3,(H2,14,17,18,19)
InChIKeyCQBNPWMGWOBAHN-UHFFFAOYSA-N
XLogP1.43
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide (CID 71868853) is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CNC(C)(C)c1nc(C)c(C)s1.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is CQBNPWMGWOBAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-6-14-12(19)17-10(18)7-15-13(4,5)11-16-8(2)9(3)20-11/h15H,6-7H2,1-5H3,(H2,14,17,18,19).
What are the key properties of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide?
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 71868853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).