2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid

C16H19N3O4S2 — CID 136533042

IUPAC2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NS(=O)(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H19N3O4S2/c20-15(21)10-19-8-6-13(7-9-19)18-25(22,23)14-11-24-16(17-14)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,20,21)
InChIKeyPWMYERUGALBEHO-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid

2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid (PubChem CID 136533042) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
PubChem CID136533042
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(NS(=O)(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H19N3O4S2/c20-15(21)10-19-8-6-13(7-9-19)18-25(22,23)14-11-24-16(17-14)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,20,21)
InChIKeyPWMYERUGALBEHO-UHFFFAOYSA-N
XLogP1.64
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55479745
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide
CID 119967216
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99640785
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 166369763
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 51335811

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid (CID 136533042) is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(NS(=O)(=O)c2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid?
The InChIKey is PWMYERUGALBEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-15(21)10-19-8-6-13(7-9-19)18-25(22,23)14-11-24-16(17-14)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,20,21).
What are the key properties of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid?
2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid has a molecular weight of 381.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 136533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).