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

C21H24N6OS — CID 67514837

IUPACN-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cncc(-c2nc(C(=O)Nc3cc(N)ccc3N3CCCC(N)C3)cs2)c1
InChIInChI=1S/C21H24N6OS/c1-13-7-14(10-24-9-13)21-26-18(12-29-21)20(28)25-17-8-15(22)4-5-19(17)27-6-2-3-16(23)11-27/h4-5,7-10,12,16H,2-3,6,11,22-23H2,1H3,(H,25,28)
InChIKeyNXVXTYVPXVWCED-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.28
Rot. Bonds4

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

N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 67514837) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID67514837
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC NameN-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cncc(-c2nc(C(=O)Nc3cc(N)ccc3N3CCCC(N)C3)cs2)c1
InChIInChI=1S/C21H24N6OS/c1-13-7-14(10-24-9-13)21-26-18(12-29-21)20(28)25-17-8-15(22)4-5-19(17)27-6-2-3-16(23)11-27/h4-5,7-10,12,16H,2-3,6,11,22-23H2,1H3,(H,25,28)
InChIKeyNXVXTYVPXVWCED-UHFFFAOYSA-N
XLogP3.28
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 56967516
N-[2-[(3S)-3-aminopiperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098465
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967453
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methylthiophen-2-yl)pyridine-2-carboxamide
CID 77420686
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-ethylthieno[3,2-b]pyridine-5-carboxamide
CID 118644369
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 77420717
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-1-ium-3-yl]-2-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 163835531
N-[2-[3-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098371
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 67514837) is N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cncc(-c2nc(C(=O)Nc3cc(N)ccc3N3CCCC(N)C3)cs2)c1.
What is the InChIKey of N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NXVXTYVPXVWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-13-7-14(10-24-9-13)21-26-18(12-29-21)20(28)25-17-8-15(22)4-5-19(17)27-6-2-3-16(23)11-27/h4-5,7-10,12,16H,2-3,6,11,22-23H2,1H3,(H,25,28).
What are the key properties of N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).