N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine

C8H13FN2S — CID 130504289

IUPACN-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCCF)sc1C
InChIInChI=1S/C8H13FN2S/c1-6-7(2)12-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11)
InChIKeyNDJPCBHVHZUSSH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.53
Rot. Bonds4

About N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 130504289) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID130504289
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC NameN-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCCCF)sc1C
InChIInChI=1S/C8H13FN2S/c1-6-7(2)12-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11)
InChIKeyNDJPCBHVHZUSSH-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 130504289) is N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCCCF)sc1C.
What is the InChIKey of N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NDJPCBHVHZUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-6-7(2)12-8(11-6)10-5-3-4-9/h3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130504289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).