N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine

C8H9FN2S — CID 135175993

IUPACN-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine
SMILESC=C/C(F)=C\CNc1nccs1
InChIInChI=1S/C8H9FN2S/c1-2-7(9)3-4-10-8-11-5-6-12-8/h2-3,5-6H,1,4H2,(H,10,11)/b7-3+
InChIKeyYCMRXMWMOOUUAX-XVNBXDOJSA-N
MW184.24 g/mol
LogP2.59
Rot. Bonds4

About N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine

N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine (PubChem CID 135175993) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine
PubChem CID135175993
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC NameN-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine
SMILESC=C/C(F)=C\CNc1nccs1
InChIInChI=1S/C8H9FN2S/c1-2-7(9)3-4-10-8-11-5-6-12-8/h2-3,5-6H,1,4H2,(H,10,11)/b7-3+
InChIKeyYCMRXMWMOOUUAX-XVNBXDOJSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-thiazol-2-ylamino)acetaldehyde
CID 76551851
2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
CID 106172156
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine (CID 135175993) is N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine is C=C/C(F)=C\CNc1nccs1.
What is the InChIKey of N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine?
The InChIKey is YCMRXMWMOOUUAX-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-2-7(9)3-4-10-8-11-5-6-12-8/h2-3,5-6H,1,4H2,(H,10,11)/b7-3+.
What are the key properties of N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine?
N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine has a molecular weight of 184.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-fluoropenta-2,4-dienyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 135175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).