2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid

C19H16N2O4S — CID 144533187

IUPAC2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid
SMILESCc1nsc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O
InChIInChI=1S/C19H16N2O4S/c1-11-17(20-19(24)25)18(26-21-11)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(22)23/h2-9,20H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyNBTPYHZRPVTQMF-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid

2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid (PubChem CID 144533187) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid
PubChem CID144533187
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid
SMILESCc1nsc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O
InChIInChI=1S/C19H16N2O4S/c1-11-17(20-19(24)25)18(26-21-11)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(22)23/h2-9,20H,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyNBTPYHZRPVTQMF-UHFFFAOYSA-N
XLogP4.50
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid (CID 144533187) is 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid is Cc1nsc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O.
What is the InChIKey of 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid?
The InChIKey is NBTPYHZRPVTQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-11-17(20-19(24)25)18(26-21-11)15-8-6-14(7-9-15)13-4-2-12(3-5-13)10-16(22)23/h2-9,20H,10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid?
2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid has a molecular weight of 368.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(carboxyamino)-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 144533187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).