2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide

C12H22N4O3S2 — CID 103365050

IUPAC2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H22N4O3S2/c1-5-21(18,19)9-10(13)16-20-12(9)15-8(4)11(17)14-6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,13,16)(H,14,17)
InChIKeyRXVKUZRVVLPAAL-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.09
Rot. Bonds7

About 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide

2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 103365050) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID103365050
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C
InChIInChI=1S/C12H22N4O3S2/c1-5-21(18,19)9-10(13)16-20-12(9)15-8(4)11(17)14-6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,13,16)(H,14,17)
InChIKeyRXVKUZRVVLPAAL-UHFFFAOYSA-N
XLogP1.09
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide (CID 103365050) is 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide is CCS(=O)(=O)c1c(N)nsc1NC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is RXVKUZRVVLPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-5-21(18,19)9-10(13)16-20-12(9)15-8(4)11(17)14-6-7(2)3/h7-8,15H,5-6H2,1-4H3,(H2,13,16)(H,14,17).
What are the key properties of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 334.47 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103365050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).