4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid

C13H17NO3S — CID 114360216

IUPAC4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1(c2nc(C3CC3)c(C(=O)O)s2)CCCCO1
InChIInChI=1S/C13H17NO3S/c1-13(6-2-3-7-17-13)12-14-9(8-4-5-8)10(18-12)11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeySWAFJKAPVCHTTO-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.13
Rot. Bonds3

About 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360216) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360216
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1(c2nc(C3CC3)c(C(=O)O)s2)CCCCO1
InChIInChI=1S/C13H17NO3S/c1-13(6-2-3-7-17-13)12-14-9(8-4-5-8)10(18-12)11(15)16/h8H,2-7H2,1H3,(H,15,16)
InChIKeySWAFJKAPVCHTTO-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidine-5-carboxylic acid
CID 80681633
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367687
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360222
2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358517
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 114360159
2-(2-methyloxan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80684802
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681182
4-methyl-2-(1-methylcyclopentyl)-1,3-thiazole-5-carboxylic acid
CID 115035110
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226488

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360216) is 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid is CC1(c2nc(C3CC3)c(C(=O)O)s2)CCCCO1.
What is the InChIKey of 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SWAFJKAPVCHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(6-2-3-7-17-13)12-14-9(8-4-5-8)10(18-12)11(15)16/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).