5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide

C10H16N4O2S — CID 134086705

IUPAC5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(CC(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-5(2)4-6-7(8(11)15)9(17-14-6)13-10(16)12-3/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,16)
InChIKeyTVZYLEGGSZUKDS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.19
Rot. Bonds4

About 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide

5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide (PubChem CID 134086705) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide
PubChem CID134086705
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(CC(C)C)c1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-5(2)4-6-7(8(11)15)9(17-14-6)13-10(16)12-3/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,16)
InChIKeyTVZYLEGGSZUKDS-UHFFFAOYSA-N
XLogP1.19
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide (CID 134086705) is 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide is CNC(=O)Nc1snc(CC(C)C)c1C(N)=O.
What is the InChIKey of 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide?
The InChIKey is TVZYLEGGSZUKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5(2)4-6-7(8(11)15)9(17-14-6)13-10(16)12-3/h5H,4H2,1-3H3,(H2,11,15)(H2,12,13,16).
What are the key properties of 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide?
5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134086705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).