2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide

C15H25N3OS — CID 120637442

IUPAC2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C1CCC(NC(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-10(2)11-3-5-12(6-4-11)17-15(19)13-9-20-14(18-13)7-8-16/h9-12H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyJUSGVFZCWVYZDQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds5

About 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 120637442) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID120637442
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C1CCC(NC(=O)c2csc(CCN)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-10(2)11-3-5-12(6-4-11)17-15(19)13-9-20-14(18-13)7-8-16/h9-12H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyJUSGVFZCWVYZDQ-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619724
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873
2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 120630586
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 120637442) is 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide is CC(C)C1CCC(NC(=O)c2csc(CCN)n2)CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JUSGVFZCWVYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)11-3-5-12(6-4-11)17-15(19)13-9-20-14(18-13)7-8-16/h9-12H,3-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120637442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).