4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid

C10H9ClN2O3S — CID 78979678

IUPAC4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccco1)c1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C10H9ClN2O3S/c1-13(5-6-3-2-4-16-6)10-12-8(11)7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyKCSYWSWASIFZGP-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid

4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 78979678) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID78979678
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccco1)c1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C10H9ClN2O3S/c1-13(5-6-3-2-4-16-6)10-12-8(11)7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyKCSYWSWASIFZGP-UHFFFAOYSA-N
XLogP2.72
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
4-chloro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80693605
4-amino-N-ethyl-2-[ethyl(methyl)amino]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663180
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62757978
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 130677953
2-[furan-2-ylmethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977445
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
6-chloro-2-N-(furan-2-ylmethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 55125089
4-chloro-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80688200
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid (CID 78979678) is 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid is CN(Cc1ccco1)c1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KCSYWSWASIFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-13(5-6-3-2-4-16-6)10-12-8(11)7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 272.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).