4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid

C14H14N2O3S — CID 114360258

IUPAC4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Cc2nc(C3CC3)c(C(=O)O)s2)cn1
InChIInChI=1S/C14H14N2O3S/c1-19-10-5-2-8(7-15-10)6-11-16-12(9-3-4-9)13(20-11)14(17)18/h2,5,7,9H,3-4,6H2,1H3,(H,17,18)
InChIKeyCWRKPCZLFZDHRK-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.71
Rot. Bonds5

About 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 114360258) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID114360258
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Cc2nc(C3CC3)c(C(=O)O)s2)cn1
InChIInChI=1S/C14H14N2O3S/c1-19-10-5-2-8(7-15-10)6-11-16-12(9-3-4-9)13(20-11)14(17)18/h2,5,7,9H,3-4,6H2,1H3,(H,17,18)
InChIKeyCWRKPCZLFZDHRK-UHFFFAOYSA-N
XLogP2.71
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 106696320
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
4-cyclopropyl-2-[(2-methoxyethylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114358688
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
4-[(6-methoxy-3-pyridinyl)methyl]-2-methylbenzoic acid
CID 175238679
4-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94970953

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid (CID 114360258) is 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid is COc1ccc(Cc2nc(C3CC3)c(C(=O)O)s2)cn1.
What is the InChIKey of 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CWRKPCZLFZDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-10-5-2-8(7-15-10)6-11-16-12(9-3-4-9)13(20-11)14(17)18/h2,5,7,9H,3-4,6H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).