5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide

C8H12N4O2S — CID 134096862

IUPAC5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)c1nsc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C8H12N4O2S/c1-3(2)5-4(6(9)13)7(15-12-5)11-8(10)14/h3H,1-2H3,(H2,9,13)(H3,10,11,14)
InChIKeyHQOUFFVBOCZRIN-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.86
Rot. Bonds3

About 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide

5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 134096862) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID134096862
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)c1nsc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C8H12N4O2S/c1-3(2)5-4(6(9)13)7(15-12-5)11-8(10)14/h3H,1-2H3,(H2,9,13)(H3,10,11,14)
InChIKeyHQOUFFVBOCZRIN-UHFFFAOYSA-N
XLogP0.86
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide (CID 134096862) is 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)c1nsc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is HQOUFFVBOCZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3(2)5-4(6(9)13)7(15-12-5)11-8(10)14/h3H,1-2H3,(H2,9,13)(H3,10,11,14).
What are the key properties of 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide?
5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 228.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).