2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 66380240

IUPAC2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CCNC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C14H23N3OS/c1-10-2-4-11(5-3-10)6-7-16-14(18)12-9-19-13(8-15)17-12/h9-11H,2-8,15H2,1H3,(H,16,18)
InChIKeyBZPUUDXXJNRVNA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 66380240) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID66380240
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCC(CCNC(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C14H23N3OS/c1-10-2-4-11(5-3-10)6-7-16-14(18)12-9-19-13(8-15)17-12/h9-11H,2-8,15H2,1H3,(H,16,18)
InChIKeyBZPUUDXXJNRVNA-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-butylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 119750347
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693263
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336
2-(aminomethyl)-N-[(4-tert-butylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119808652
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119766803
2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide (CID 66380240) is 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide is CC1CCC(CCNC(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BZPUUDXXJNRVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-2-4-11(5-3-10)6-7-16-14(18)12-9-19-13(8-15)17-12/h9-11H,2-8,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66380240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).