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

C23H24N6OS — CID 59332404

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNCC1CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C23H24N6OS/c24-13-16-9-11-28(12-10-16)21-8-4-2-6-18(21)26-22(30)19-15-31-23(27-19)29-20-7-3-1-5-17(20)14-25-29/h1-8,14-16H,9-13,24H2,(H,26,30)
InChIKeyMYTLZVFHKWKDRC-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.91
Rot. Bonds5

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

N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 59332404) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
PubChem CID59332404
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
SMILESNCC1CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1
InChIInChI=1S/C23H24N6OS/c24-13-16-9-11-28(12-10-16)21-8-4-2-6-18(21)26-22(30)19-15-31-23(27-19)29-20-7-3-1-5-17(20)14-25-29/h1-8,14-16H,9-13,24H2,(H,26,30)
InChIKeyMYTLZVFHKWKDRC-UHFFFAOYSA-N
XLogP3.91
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-indazol-1-yl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332332
ethane;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 143756710
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332463
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332076
2-indazol-1-yl-N-(4-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332392
N-[4-(2-aminoethylamino)-3-pyridinyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide
CID 71101764
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-[(3R)-3-aminopyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 71053466
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 59332457
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 56967516
N-[2-[(3R)-3-aminopiperidin-1-yl]phenyl]-2-indazol-1-ylpyrimidine-4-carboxamide
CID 59569339
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 59332171

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide (CID 59332404) is N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is NCC1CCN(c2ccccc2NC(=O)c2csc(-n3ncc4ccccc43)n2)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MYTLZVFHKWKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c24-13-16-9-11-28(12-10-16)21-8-4-2-6-18(21)26-22(30)19-15-31-23(27-19)29-20-7-3-1-5-17(20)14-25-29/h1-8,14-16H,9-13,24H2,(H,26,30).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-indazol-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).