N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine

C8H12N2S — CID 54195891

IUPACN,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCc1csc(N(C)C)n1
InChIInChI=1S/C8H12N2S/c1-4-5-7-6-11-8(9-7)10(2)3/h4,6H,1,5H2,2-3H3
InChIKeyJOCVNABJEILNSE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.94
Rot. Bonds3

About N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine

N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 54195891) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID54195891
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCc1csc(N(C)C)n1
InChIInChI=1S/C8H12N2S/c1-4-5-7-6-11-8(9-7)10(2)3/h4,6H,1,5H2,2-3H3
InChIKeyJOCVNABJEILNSE-UHFFFAOYSA-N
XLogP1.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 50988207
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CID 16253076
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CID 12787020
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CID 12910384
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CID 13637177
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CID 58336980
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CID 70954946
CID 70954946

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine (CID 54195891) is N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine is C=CCc1csc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is JOCVNABJEILNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-5-7-6-11-8(9-7)10(2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine?
N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54195891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).