1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide

C12H19N3OS — CID 115437889

IUPAC1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2cscn2)CCCCC1
InChIInChI=1S/C12H19N3OS/c13-8-12(4-2-1-3-5-12)11(16)14-6-10-7-17-9-15-10/h7,9H,1-6,8,13H2,(H,14,16)
InChIKeyVWYGKTVMLYJXDH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.67
Rot. Bonds4

About 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115437889) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115437889
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2cscn2)CCCCC1
InChIInChI=1S/C12H19N3OS/c13-8-12(4-2-1-3-5-12)11(16)14-6-10-7-17-9-15-10/h7,9H,1-6,8,13H2,(H,14,16)
InChIKeyVWYGKTVMLYJXDH-UHFFFAOYSA-N
XLogP1.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbamothioyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 63824661
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
[1-(1,3-thiazol-4-ylmethylamino)cyclohexyl]methanol
CID 62521702
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 115437904
1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 63831519
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 115437889) is 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide is NCC1(C(=O)NCc2cscn2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is VWYGKTVMLYJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-8-12(4-2-1-3-5-12)11(16)14-6-10-7-17-9-15-10/h7,9H,1-6,8,13H2,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).