5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid

C9H14N2O2S — CID 144905335

IUPAC5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid
SMILESCCCc1nc(C(=O)O)sc1CNC
InChIInChI=1S/C9H14N2O2S/c1-3-4-6-7(5-10-2)14-8(11-6)9(12)13/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyOFCCFQJOYDWRCZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.51
Rot. Bonds5

About 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid

5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid (PubChem CID 144905335) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid
PubChem CID144905335
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid
SMILESCCCc1nc(C(=O)O)sc1CNC
InChIInChI=1S/C9H14N2O2S/c1-3-4-6-7(5-10-2)14-8(11-6)9(12)13/h10H,3-5H2,1-2H3,(H,12,13)
InChIKeyOFCCFQJOYDWRCZ-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
CID 174954459

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid (CID 144905335) is 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid is CCCc1nc(C(=O)O)sc1CNC.
What is the InChIKey of 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is OFCCFQJOYDWRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-4-6-7(5-10-2)14-8(11-6)9(12)13/h10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid?
5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 144905335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).