4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid

C15H24N2O2S — CID 79531995

IUPAC4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NCC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H24N2O2S/c1-9(14-10(2)17-11(3)20-14)16-8-12-4-6-13(7-5-12)15(18)19/h9,12-13,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyYIYKIAVPCUGAQV-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.30
Rot. Bonds5

About 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79531995) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79531995
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NCC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C15H24N2O2S/c1-9(14-10(2)17-11(3)20-14)16-8-12-4-6-13(7-5-12)15(18)19/h9,12-13,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyYIYKIAVPCUGAQV-UHFFFAOYSA-N
XLogP3.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]prop-2-enoic acid
CID 103242808
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532822
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid (CID 79531995) is 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid is Cc1nc(C)c(C(C)NCC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YIYKIAVPCUGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-9(14-10(2)17-11(3)20-14)16-8-12-4-6-13(7-5-12)15(18)19/h9,12-13,16H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79531995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).