4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H13FN2S — CID 60675825

IUPAC4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C12H13FN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)
InChIKeySHKDUXNAFCIACO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.77
Rot. Bonds3

About 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 60675825) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID60675825
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C12H13FN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15)
InChIKeySHKDUXNAFCIACO-UHFFFAOYSA-N
XLogP3.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 60675825) is 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is SHKDUXNAFCIACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8(2)14-12-15-11(7-16-12)9-4-3-5-10(13)6-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 60675825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).