3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide

C20H24N6OS — CID 141426409

IUPAC3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc([C@@H]2SC(N)=CN2c2cnccc2N2CCCC(N)C2)c1
InChIInChI=1S/C20H24N6OS/c21-15-5-2-8-25(11-15)16-6-7-24-10-17(16)26-12-18(22)28-20(26)14-4-1-3-13(9-14)19(23)27/h1,3-4,6-7,9-10,12,15,20H,2,5,8,11,21-22H2,(H2,23,27)/t15?,20-/m0/s1
InChIKeyVIMCSFZZPLZCBH-MBABXSBOSA-N
MW396.52 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide

3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide (PubChem CID 141426409) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide
PubChem CID141426409
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc([C@@H]2SC(N)=CN2c2cnccc2N2CCCC(N)C2)c1
InChIInChI=1S/C20H24N6OS/c21-15-5-2-8-25(11-15)16-6-7-24-10-17(16)26-12-18(22)28-20(26)14-4-1-3-13(9-14)19(23)27/h1,3-4,6-7,9-10,12,15,20H,2,5,8,11,21-22H2,(H2,23,27)/t15?,20-/m0/s1
InChIKeyVIMCSFZZPLZCBH-MBABXSBOSA-N
XLogP2.12
TPSA114.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-3,5-dimethylbenzamide
CID 118057665
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide
CID 118057678
4-((2-Aminophenyl)carbamoyl)benzyl 4-(pyridin-4-yl)piperazine-1-carbodithioate
CID 145985400
[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CID 145978932
N,N'-Di-pyridin-4-yl-isophthalamide
CID 669131
5-oxo-N-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide
CID 42606362
9-(4-Pyridin-4-ylpiperazine-1-carbonyl)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 70264189
N-Methyl-N-(2-methyl-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-3'-yl)-3,5-bis-trifluoromethyl-benzamide
CID 86670691
N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 25162701
3-(4-oxo-3-pyridin-3-yl-1,3-thiazolidin-2-yl)-N-(4-pyrazol-1-ylbutyl)benzamide
CID 168273901
5-methyl-1-N,3-N-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 155512022
[4-[(2-Aminophenyl)carbamoyl]phenyl]methyl 4-pyridin-3-ylpiperazine-1-carbodithioate
CID 145991836

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide (CID 141426409) is 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide is NC(=O)c1cccc([C@@H]2SC(N)=CN2c2cnccc2N2CCCC(N)C2)c1.
What is the InChIKey of 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide?
The InChIKey is VIMCSFZZPLZCBH-MBABXSBOSA-N. The full InChI is InChI=1S/C20H24N6OS/c21-15-5-2-8-25(11-15)16-6-7-24-10-17(16)26-12-18(22)28-20(26)14-4-1-3-13(9-14)19(23)27/h1,3-4,6-7,9-10,12,15,20H,2,5,8,11,21-22H2,(H2,23,27)/t15?,20-/m0/s1.
What are the key properties of 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide?
3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5-amino-3-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2H-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 141426409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).