1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C13H21N3OS — CID 115437795

IUPAC1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2(CN)CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-9-10(2)18-12(15-9)16-11(17)13(8-14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyWUAKQVJEFIZEQT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.61
Rot. Bonds3

About 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 115437795) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID115437795
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1nc(NC(=O)C2(CN)CCCCC2)sc1C
InChIInChI=1S/C13H21N3OS/c1-9-10(2)18-12(15-9)16-11(17)13(8-14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyWUAKQVJEFIZEQT-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 903390
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4377464
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 155974281
N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 166232251
3-cyclopentyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 918389
Adamantane-1-carboxylic acid (4,5-dimethyl-thiazol-2-yl)-amide
CID 18128676
4-[[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxamide
CID 87416163
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)tricyclo[5.3.1.03,9]undecane-1-carboxamide
CID 88929448
2-(4,5-Dimethyl(1,3-thiazolin-2-ylidene))-1-(2,2,3,3-tetramethylcyclopropyl)-2-azaethan-1-one
CID 166938604
2-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 169689409
2-(9-aminononylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 176835796
N-(4,5-dimethyl-1,3-thiazol-2-yl)decanamide
CID 3247469

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 115437795) is 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is Cc1nc(NC(=O)C2(CN)CCCCC2)sc1C.
What is the InChIKey of 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is WUAKQVJEFIZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-10(2)18-12(15-9)16-11(17)13(8-14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).