5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide

C13H22N4O2S — CID 134086668

IUPAC5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide
SMILESCCCC(C)(C)c1nsc(NC(=O)NCC)c1C(N)=O
InChIInChI=1S/C13H22N4O2S/c1-5-7-13(3,4)9-8(10(14)18)11(20-17-9)16-12(19)15-6-2/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,19)
InChIKeyZGONWVNUWFGLJN-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.46
Rot. Bonds6

About 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide

5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide (PubChem CID 134086668) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide
PubChem CID134086668
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide
SMILESCCCC(C)(C)c1nsc(NC(=O)NCC)c1C(N)=O
InChIInChI=1S/C13H22N4O2S/c1-5-7-13(3,4)9-8(10(14)18)11(20-17-9)16-12(19)15-6-2/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,19)
InChIKeyZGONWVNUWFGLJN-UHFFFAOYSA-N
XLogP2.46
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
CID 323919
3-butyl-5-methyl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
CID 153741018
3-hexyl-5-methyl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
CID 154302493
3-heptyl-5-methyl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
CID 154312109
5-(Methylcarbamoylamino)-3-(2-methylpropyl)-1,2-thiazole-4-carboxamide
CID 134086705
5-(Butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide
CID 134096740
5-(Methylcarbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide
CID 134096858
5-(Carbamoylamino)-3-propan-2-yl-1,2-thiazole-4-carboxamide
CID 134096862
5-(Dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide
CID 134096875
5-(Methylcarbamoylamino)-3-propyl-1,2-thiazole-4-carboxamide
CID 134096878
3-Heptan-3-yl-5-[[methoxy(methyl)carbamoyl]amino]-1,2-thiazole-4-carboxamide
CID 134096886
3-Tert-butyl-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 134096888

Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide (CID 134086668) is 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide is CCCC(C)(C)c1nsc(NC(=O)NCC)c1C(N)=O.
What is the InChIKey of 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is ZGONWVNUWFGLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-7-13(3,4)9-8(10(14)18)11(20-17-9)16-12(19)15-6-2/h5-7H2,1-4H3,(H2,14,18)(H2,15,16,19).
What are the key properties of 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide?
5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134086668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).