2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H27N3O2S — CID 119805648

IUPAC2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCC(N(CC2CCCO2)C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C17H27N3O2S/c1-12-4-6-13(7-5-12)20(10-14-3-2-8-22-14)17(21)15-11-23-16(9-18)19-15/h11-14H,2-10,18H2,1H3
InChIKeyJFFDHQIBTMSEET-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.80
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119805648) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID119805648
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC1CCC(N(CC2CCCO2)C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C17H27N3O2S/c1-12-4-6-13(7-5-12)20(10-14-3-2-8-22-14)17(21)15-11-23-16(9-18)19-15/h11-14H,2-10,18H2,1H3
InChIKeyJFFDHQIBTMSEET-UHFFFAOYSA-N
XLogP2.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66376261
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66378238
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
2-benzyl-N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96571936
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(4-aminophenyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119805627
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 119805648) is 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CC1CCC(N(CC2CCCO2)C(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JFFDHQIBTMSEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-12-4-6-13(7-5-12)20(10-14-3-2-8-22-14)17(21)15-11-23-16(9-18)19-15/h11-14H,2-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119805648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).