2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C19H24N4O2S — CID 120621026

IUPAC2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13-4-2-3-11-23(13)19(25)14-5-7-15(8-6-14)21-18(24)16-12-26-17(22-16)9-10-20/h5-8,12-13H,2-4,9-11,20H2,1H3,(H,21,24)
InChIKeyDLBCMBDNQYGPSS-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120621026) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120621026
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-13-4-2-3-11-23(13)19(25)14-5-7-15(8-6-14)21-18(24)16-12-26-17(22-16)9-10-20/h5-8,12-13H,2-4,9-11,20H2,1H3,(H,21,24)
InChIKeyDLBCMBDNQYGPSS-UHFFFAOYSA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[4-(azepane-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624449
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 120621026) is 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is CC1CCCCN1C(=O)c1ccc(NC(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DLBCMBDNQYGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-4-2-3-11-23(13)19(25)14-5-7-15(8-6-14)21-18(24)16-12-26-17(22-16)9-10-20/h5-8,12-13H,2-4,9-11,20H2,1H3,(H,21,24).
What are the key properties of 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120621026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).