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

C19H20N4OS2 — CID 71098465

IUPACN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESN[C@H]1CCCN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C19H20N4OS2/c20-13-5-3-9-23(11-13)16-7-2-1-6-14(16)21-18(24)15-12-26-19(22-15)17-8-4-10-25-17/h1-2,4,6-8,10,12-13H,3,5,9,11,20H2,(H,21,24)/t13-/m0/s1
InChIKeyRXODMMPLIBRMKT-ZDUSSCGKSA-N
MW384.53 g/mol
LogP4.05
Rot. Bonds4

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

N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71098465) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71098465
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESN[C@H]1CCCN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1
InChIInChI=1S/C19H20N4OS2/c20-13-5-3-9-23(11-13)16-7-2-1-6-14(16)21-18(24)15-12-26-19(22-15)17-8-4-10-25-17/h1-2,4,6-8,10,12-13H,3,5,9,11,20H2,(H,21,24)/t13-/m0/s1
InChIKeyRXODMMPLIBRMKT-ZDUSSCGKSA-N
XLogP4.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
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-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
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-(3-azaspiro[5.5]undecan-3-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142462
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
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-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-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-hydroxyethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126662031
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71098465) is N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is N[C@H]1CCCN(c2ccccc2NC(=O)c2csc(-c3cccs3)n2)C1.
What is the InChIKey of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RXODMMPLIBRMKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4OS2/c20-13-5-3-9-23(11-13)16-7-2-1-6-14(16)21-18(24)15-12-26-19(22-15)17-8-4-10-25-17/h1-2,4,6-8,10,12-13H,3,5,9,11,20H2,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71098465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).