N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine

C10H16N2S — CID 114475544

IUPACN,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cncs1
InChIInChI=1S/C10H16N2S/c1-8(2)4-5-9(11-3)10-6-12-7-13-10/h6-7,9,11H,1,4-5H2,2-3H3
InChIKeyNMJQJICEXOVNHQ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.76
Rot. Bonds5

About N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine

N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine (PubChem CID 114475544) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
PubChem CID114475544
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NC)c1cncs1
InChIInChI=1S/C10H16N2S/c1-8(2)4-5-9(11-3)10-6-12-7-13-10/h6-7,9,11H,1,4-5H2,2-3H3
InChIKeyNMJQJICEXOVNHQ-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine 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

3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 83816401
N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine
CID 144878077
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798
N,4-dimethyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475565
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641
N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
CID 115517469
1-(3,5-dichloro-2-pyridinyl)-N,4-dimethylpent-4-en-1-amine
CID 114475430
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine?
The IUPAC name of N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine (CID 114475544) is N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine is C=C(C)CCC(NC)c1cncs1.
What is the InChIKey of N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine?
The InChIKey is NMJQJICEXOVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(2)4-5-9(11-3)10-6-12-7-13-10/h6-7,9,11H,1,4-5H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine?
N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 114475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).