5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine

C7H11FN2S2 — CID 81106971

IUPAC5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCF
InChIInChI=1S/C7H11FN2S2/c1-5-6(11-4-2-3-8)12-7(9)10-5/h2-4H2,1H3,(H2,9,10)
InChIKeyJPKPCVCIZJNFAQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.49
Rot. Bonds4

About 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine

5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 81106971) has the molecular formula C7H11FN2S2 and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID81106971
Molecular FormulaC7H11FN2S2
Molecular Weight206.31 g/mol
Exact Mass206.03
IUPAC Name5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCF
InChIInChI=1S/C7H11FN2S2/c1-5-6(11-4-2-3-8)12-7(9)10-5/h2-4H2,1H3,(H2,9,10)
InChIKeyJPKPCVCIZJNFAQ-UHFFFAOYSA-N
XLogP2.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
2-Thiazolamine, 4-(trifluoromethyl)-
CID 1201417
N-(4-methyl-1,3-thiazol-2-yl)guanidine
CID 2776666
4-Methyl-5-(methylsulfanyl)-1,3-thiazol-2-amine
CID 18735264
5-Fluoro-4-methyl-1,3-thiazol-2-amine
CID 45121649
4-(Trideuteriomethyl)-1,3-thiazol-2-amine
CID 45785356
4-(Methylsulfanylmethyl)-1,3-thiazol-2-amine
CID 319548
2-((2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl)acetamide
CID 24696382
2-((2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl)acetonitrile
CID 24706792
Famotidine Impurity 33
CID 12918379
5-Iodo-4-methyl-2-thiazolamine
CID 23341795

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine (CID 81106971) is 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCCF.
What is the InChIKey of 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JPKPCVCIZJNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S2/c1-5-6(11-4-2-3-8)12-7(9)10-5/h2-4H2,1H3,(H2,9,10).
What are the key properties of 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81106971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).