Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-

C17H19N3O5S2 — CID 2933069

IUPAC2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O
InChIInChI=1S/C17H19N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h5-10,13-14H,1-4H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyYNEVDAHDPGZONZ-UHFFFAOYSA-N
MW409.50 g/mol
LogP1.00
Rot. Bonds6

About Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-

Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]- (PubChem CID 2933069) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound NameCyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-
PubChem CID2933069
Molecular FormulaC17H19N3O5S2
Molecular Weight409.50 g/mol
Exact Mass409.08
IUPAC Name2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O
InChIInChI=1S/C17H19N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h5-10,13-14H,1-4H2,(H,18,20)(H,19,21)(H,22,23)
InChIKeyYNEVDAHDPGZONZ-UHFFFAOYSA-N
XLogP1.00
TPSA162.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity643

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-?
The IUPAC name of Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]- (CID 2933069) is 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-?
The canonical SMILES for Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]- is C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O.
What is the InChIKey of Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-?
The InChIKey is YNEVDAHDPGZONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h5-10,13-14H,1-4H2,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]-?
Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]- has a molecular weight of 409.50 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexanecarboxylic acid, 2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]- is sourced from PubChem (CID 2933069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).