4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine

C10H16N2S — CID 79190091

IUPAC4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)Cc1csc(C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)4-9(11)5-10-6-13-8(3)12-10/h4,6,9H,5,11H2,1-3H3
InChIKeyKPRMJEAJKINYOM-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine (PubChem CID 79190091) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
PubChem CID79190091
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
SMILESCC(C)=CC(N)Cc1csc(C)n1
InChIInChI=1S/C10H16N2S/c1-7(2)4-9(11)5-10-6-13-8(3)12-10/h4,6,9H,5,11H2,1-3H3
InChIKeyKPRMJEAJKINYOM-UHFFFAOYSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-2-amine
CID 79178263
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 116718491
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine (CID 79190091) is 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine is CC(C)=CC(N)Cc1csc(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine?
The InChIKey is KPRMJEAJKINYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)4-9(11)5-10-6-13-8(3)12-10/h4,6,9H,5,11H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine?
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine is sourced from PubChem (CID 79190091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).