2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide

C15H25N3OS — CID 119750347

IUPAC2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCCCCC1CCC(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-2-3-4-11-5-7-12(8-6-11)17-15(19)13-10-20-14(9-16)18-13/h10-12H,2-9,16H2,1H3,(H,17,19)
InChIKeyLMEIMIWRUOIIFZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.08
Rot. Bonds6

About 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 119750347) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID119750347
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCCCCC1CCC(NC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-2-3-4-11-5-7-12(8-6-11)17-15(19)13-10-20-14(9-16)18-13/h10-12H,2-9,16H2,1H3,(H,17,19)
InChIKeyLMEIMIWRUOIIFZ-UHFFFAOYSA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
CID 114118049
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 119750347) is 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide is CCCCC1CCC(NC(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LMEIMIWRUOIIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-3-4-11-5-7-12(8-6-11)17-15(19)13-10-20-14(9-16)18-13/h10-12H,2-9,16H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119750347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).