3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide

C12H20N4OS — CID 103378817

IUPAC3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCC1CCC(Nc2snc(N)c2C(N)=O)C1C
InChIInChI=1S/C12H20N4OS/c1-3-7-4-5-8(6(7)2)15-12-9(11(14)17)10(13)16-18-12/h6-8,15H,3-5H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeyOLIRLHAKPNDCMA-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide

3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103378817) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103378817
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCC1CCC(Nc2snc(N)c2C(N)=O)C1C
InChIInChI=1S/C12H20N4OS/c1-3-7-4-5-8(6(7)2)15-12-9(11(14)17)10(13)16-18-12/h6-8,15H,3-5H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeyOLIRLHAKPNDCMA-UHFFFAOYSA-N
XLogP2.06
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide (CID 103378817) is 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide is CCC1CCC(Nc2snc(N)c2C(N)=O)C1C.
What is the InChIKey of 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is OLIRLHAKPNDCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-7-4-5-8(6(7)2)15-12-9(11(14)17)10(13)16-18-12/h6-8,15H,3-5H2,1-2H3,(H2,13,16)(H2,14,17).
What are the key properties of 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).