N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C17H16N4OS2 — CID 71098037

IUPACN-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC1CN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C17H16N4OS2/c18-11-8-21(9-11)14-5-2-1-4-12(14)19-16(22)13-10-24-17(20-13)15-6-3-7-23-15/h1-7,10-11H,8-9,18H2,(H,19,22)
InChIKeyJKPQEKZAHKYZPQ-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71098037) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71098037
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESNC1CN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C17H16N4OS2/c18-11-8-21(9-11)14-5-2-1-4-12(14)19-16(22)13-10-24-17(20-13)15-6-3-7-23-15/h1-7,10-11H,8-9,18H2,(H,19,22)
InChIKeyJKPQEKZAHKYZPQ-UHFFFAOYSA-N
XLogP3.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-[2-[3-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098371
N-[2-(3-hydroxypiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098059
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
N-[2-[4-amino-4-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098117
N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
N-[2-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142462
2-thiophen-2-yl-N-[2-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 89272226
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055
N-[2-[4-(2-hydroxy-2-methylhydrazinyl)azocan-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126662024
N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142304

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71098037) is N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is NC1CN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1.
What is the InChIKey of N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JKPQEKZAHKYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c18-11-8-21(9-11)14-5-2-1-4-12(14)19-16(22)13-10-24-17(20-13)15-6-3-7-23-15/h1-7,10-11H,8-9,18H2,(H,19,22).
What are the key properties of N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 356.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71098037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).