2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H12F6N2OS — CID 86591941

IUPAC2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H12F6N2OS/c1-2-3-4-17-7-18-5-6(20-7)8(19,9(11,12)13)10(14,15)16/h5,19H,2-4H2,1H3,(H,17,18)
InChIKeyRTLGYBNUOZDNSK-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.67
Rot. Bonds5

About 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 86591941) has the molecular formula C10H12F6N2OS and a molecular weight of 322.27 g/mol. Its IUPAC name is 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID86591941
Molecular FormulaC10H12F6N2OS
Molecular Weight322.27 g/mol
Exact Mass322.06
IUPAC Name2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C10H12F6N2OS/c1-2-3-4-17-7-18-5-6(20-7)8(19,9(11,12)13)10(14,15)16/h5,19H,2-4H2,1H3,(H,17,18)
InChIKeyRTLGYBNUOZDNSK-UHFFFAOYSA-N
XLogP3.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
N-ethyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)isobutyramide
CID 44413431
N-butyl-N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)acetamide
CID 44413485
2-(2-Aminothiazol-5-yl)propan-2-ol
CID 45121757
3-(2-Amino-1,3-thiazol-5-yl)azetidin-3-ol; bis(trifluoroacetic acid)
CID 155978196
N-butyl-N'-ethyl-N-{5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl}urea
CID 10135168
Diethyl 5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-1,3-thiazol-2-yl-amidophosphate
CID 57644083
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 57644091
1-Butyl-3-ethyl-1-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]urea
CID 59149481
2-methyl-N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59149483
[[5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]phosphonic acid
CID 87308442
N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]formamide
CID 87544007

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 86591941) is 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCCCNc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RTLGYBNUOZDNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2OS/c1-2-3-4-17-7-18-5-6(20-7)8(19,9(11,12)13)10(14,15)16/h5,19H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 322.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)-1,3-thiazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 86591941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).