N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene

C24H47N3S — CID 143088073

IUPACN-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
SMILESC/C=C(\C)c1cnc(CNCCCN2CCCCC2C)s1.C=CC.CC.CC
InChIInChI=1S/C17H29N3S.C3H6.2C2H6/c1-4-14(2)16-12-19-17(21-16)13-18-9-7-11-20-10-6-5-8-15(20)3;1-3-2;2*1-2/h4,12,15,18H,5-11,13H2,1-3H3;3H,1H2,2H3;2*1-2H3/b14-4+;;;
InChIKeyNTDKWJMATOKLCR-YNEROMMOSA-N
MW409.73 g/mol
LogP7.17
Rot. Bonds7

About N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene

N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene (PubChem CID 143088073) has the molecular formula C24H47N3S and a molecular weight of 409.73 g/mol. Its IUPAC name is N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene.

Molecular Properties

Compound NameN-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
PubChem CID143088073
Molecular FormulaC24H47N3S
Molecular Weight409.73 g/mol
Exact Mass409.35
IUPAC NameN-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
SMILESC/C=C(\C)c1cnc(CNCCCN2CCCCC2C)s1.C=CC.CC.CC
InChIInChI=1S/C17H29N3S.C3H6.2C2H6/c1-4-14(2)16-12-19-17(21-16)13-18-9-7-11-20-10-6-5-8-15(20)3;1-3-2;2*1-2/h4,12,15,18H,5-11,13H2,1-3H3;3H,1H2,2H3;2*1-2H3/b14-4+;;;
InChIKeyNTDKWJMATOKLCR-YNEROMMOSA-N
XLogP7.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.73
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-(2-methoxy-1,3-thiazol-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085441
2-(1-Methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
CID 166936052
2-(1-Propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
CID 166950736
N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 167018959
1-[5-[(3Z,5Z)-nona-1,3,5-trien-2-yl]-1,3-thiazol-2-yl]ethanamine
CID 178137897
5-Ethyl-2-piperidin-2-yl-1,3-thiazole
CID 62653526
5-Ethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342133
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 75428392
2-[(2-methyl-1,3-thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330223
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylpiperidin-4-amine
CID 103729894
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 103787003
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103787014

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene?
The IUPAC name of N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene (CID 143088073) is N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene.
What is the SMILES notation for N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene?
The canonical SMILES for N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene is C/C=C(\C)c1cnc(CNCCCN2CCCCC2C)s1.C=CC.CC.CC.
What is the InChIKey of N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene?
The InChIKey is NTDKWJMATOKLCR-YNEROMMOSA-N. The full InChI is InChI=1S/C17H29N3S.C3H6.2C2H6/c1-4-14(2)16-12-19-17(21-16)13-18-9-7-11-20-10-6-5-8-15(20)3;1-3-2;2*1-2/h4,12,15,18H,5-11,13H2,1-3H3;3H,1H2,2H3;2*1-2H3/b14-4+;;;.
What are the key properties of N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene?
N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene has a molecular weight of 409.73 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene is sourced from PubChem (CID 143088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).