3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C15H26N4OS — CID 103378797

IUPAC3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC1CCCC(Nc2snc(N)c2C(=O)NC(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-4-10-6-5-7-11(8-10)18-15-12(13(16)19-21-15)14(20)17-9(2)3/h9-11,18H,4-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyYIIZOJKGXCTIKA-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103378797) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103378797
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC1CCCC(Nc2snc(N)c2C(=O)NC(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-4-10-6-5-7-11(8-10)18-15-12(13(16)19-21-15)14(20)17-9(2)3/h9-11,18H,4-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyYIIZOJKGXCTIKA-UHFFFAOYSA-N
XLogP3.24
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-[(2,2-dimethyloxan-4-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383766
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103378797) is 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCC1CCCC(Nc2snc(N)c2C(=O)NC(C)C)C1.
What is the InChIKey of 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is YIIZOJKGXCTIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-10-6-5-7-11(8-10)18-15-12(13(16)19-21-15)14(20)17-9(2)3/h9-11,18H,4-8H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-ethylcyclohexyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).