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

C20H22N6OS — CID 51002498

IUPAC5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C20H22N6OS/c21-14-7-4-10-26(12-14)16-8-9-23-11-15(16)24-19(27)17-18(22)28-20(25-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,21-22H2,(H,24,27)/t14-/m0/s1
InChIKeyHNPMHROEVHMGSI-AWEZNQCLSA-N
MW394.50 g/mol
LogP2.97
Rot. Bonds4

About 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 51002498) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID51002498
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C20H22N6OS/c21-14-7-4-10-26(12-14)16-8-9-23-11-15(16)24-19(27)17-18(22)28-20(25-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,21-22H2,(H,24,27)/t14-/m0/s1
InChIKeyHNPMHROEVHMGSI-AWEZNQCLSA-N
XLogP2.97
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 51002498) is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is Nc1sc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HNPMHROEVHMGSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6OS/c21-14-7-4-10-26(12-14)16-8-9-23-11-15(16)24-19(27)17-18(22)28-20(25-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,21-22H2,(H,24,27)/t14-/m0/s1.
What are the key properties of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).