N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C21H24N6OS — CID 56967516

IUPACN-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESNCC1CCN(c2ccc(N)cc2NC(=O)c2csc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H24N6OS/c22-11-14-5-8-27(9-6-14)19-4-3-16(23)10-17(19)25-20(28)18-13-29-21(26-18)15-2-1-7-24-12-15/h1-4,7,10,12-14H,5-6,8-9,11,22-23H2,(H,25,28)
InChIKeyRRRPZBZBKIDBJN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.21
Rot. Bonds5

About N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 56967516) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID56967516
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC NameN-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESNCC1CCN(c2ccc(N)cc2NC(=O)c2csc(-c3cccnc3)n2)CC1
InChIInChI=1S/C21H24N6OS/c22-11-14-5-8-27(9-6-14)19-4-3-16(23)10-17(19)25-20(28)18-13-29-21(26-18)15-2-1-7-24-12-15/h1-4,7,10,12-14H,5-6,8-9,11,22-23H2,(H,25,28)
InChIKeyRRRPZBZBKIDBJN-UHFFFAOYSA-N
XLogP3.21
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.21
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-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967453
N-[5-amino-2-(3-aminopiperidin-1-yl)phenyl]-2-(5-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 67514837
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967832
N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 3861858
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332404
N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71142345
N-[2-[4-(3-hydroxypropyl)piperidin-1-yl]-5-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 178082207
N-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 56941461
N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 88563034
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 56967516) is N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is NCC1CCN(c2ccc(N)cc2NC(=O)c2csc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RRRPZBZBKIDBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c22-11-14-5-8-27(9-6-14)19-4-3-16(23)10-17(19)25-20(28)18-13-29-21(26-18)15-2-1-7-24-12-15/h1-4,7,10,12-14H,5-6,8-9,11,22-23H2,(H,25,28).
What are the key properties of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56967516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).