2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol

C14H15F3N2OS — CID 133367327

IUPAC2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol
SMILESCC(CO)(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CC1
InChIInChI=1S/C14H15F3N2OS/c1-13(7-20,8-2-3-8)19-12-18-10-6-9(14(15,16)17)4-5-11(10)21-12/h4-6,8,20H,2-3,7H2,1H3,(H,18,19)
InChIKeyPVSPUXVTQANZNF-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.89
Rot. Bonds4

About 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol

2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol (PubChem CID 133367327) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol
PubChem CID133367327
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol
SMILESCC(CO)(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CC1
InChIInChI=1S/C14H15F3N2OS/c1-13(7-20,8-2-3-8)19-12-18-10-6-9(14(15,16)17)4-5-11(10)21-12/h4-6,8,20H,2-3,7H2,1H3,(H,18,19)
InChIKeyPVSPUXVTQANZNF-UHFFFAOYSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 107414302
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
2-ethylsulfanyl-1-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]methyl]cyclobutan-1-ol
CID 133357870
N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64922635
methyl 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetate
CID 43135001
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 43247437
4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 60864153
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
N-(1-oxothian-4-yl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 104576581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol (CID 133367327) is 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol is CC(CO)(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol?
The InChIKey is PVSPUXVTQANZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-13(7-20,8-2-3-8)19-12-18-10-6-9(14(15,16)17)4-5-11(10)21-12/h4-6,8,20H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol?
2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol has a molecular weight of 316.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol is sourced from PubChem (CID 133367327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).