3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide

C10H18N4OS — CID 103360319

IUPAC3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1snc(N)c1C
InChIInChI=1S/C10H18N4OS/c1-3-5-12-8(15)4-6-13-10-7(2)9(11)14-16-10/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyXVKHBQTUUXZGBL-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.36
Rot. Bonds6

About 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide

3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide (PubChem CID 103360319) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
PubChem CID103360319
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1snc(N)c1C
InChIInChI=1S/C10H18N4OS/c1-3-5-12-8(15)4-6-13-10-7(2)9(11)14-16-10/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyXVKHBQTUUXZGBL-UHFFFAOYSA-N
XLogP1.36
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379590
3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379592
3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379594
3-amino-N-cyclopropyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379701
3-amino-N-propan-2-yl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379704
3-amino-N-cyclopropyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379710
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379713
3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379728
3-amino-N-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379729
3-amino-N-propan-2-yl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379731
3-Amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380133
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide (CID 103360319) is 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1snc(N)c1C.
What is the InChIKey of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is XVKHBQTUUXZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-5-12-8(15)4-6-13-10-7(2)9(11)14-16-10/h13H,3-6H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 242.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 103360319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).