2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

C14H22N2O2S — CID 62765134

IUPAC2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCC(N(C)c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-10-5-7-11(8-6-10)16(3)14-15-9(2)12(19-14)13(17)18/h10-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyXCXCBXZUPFIDEF-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765134) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765134
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCC(N(C)c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C14H22N2O2S/c1-4-10-5-7-11(8-6-10)16(3)14-15-9(2)12(19-14)13(17)18/h10-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyXCXCBXZUPFIDEF-UHFFFAOYSA-N
XLogP3.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764084
4-methyl-2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62766134
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
CID 61450285
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
4-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylic acid
CID 80687645
2-[(1-ethylpiperidin-4-yl)-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396706
[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780671
ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 80568326
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 63519386
4-tert-butyl-2-[cycloheptyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63514616
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765134) is 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is CCC1CCC(N(C)c2nc(C)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XCXCBXZUPFIDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-10-5-7-11(8-6-10)16(3)14-15-9(2)12(19-14)13(17)18/h10-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).