2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol

C15H19FN2OS — CID 133372516

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN2OS/c1-10(2)7-13(8-19)17-15-18-14(9-20-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyRQJWCHHOBTVURX-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.77
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 133372516) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol
PubChem CID133372516
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H19FN2OS/c1-10(2)7-13(8-19)17-15-18-14(9-20-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyRQJWCHHOBTVURX-UHFFFAOYSA-N
XLogP3.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
CID 133370788
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol
CID 123570427
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol (CID 133372516) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is RQJWCHHOBTVURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10(2)7-13(8-19)17-15-18-14(9-20-15)11-3-5-12(16)6-4-11/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 133372516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).