2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

C10H17F2N3OS — CID 107486207

IUPAC2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCNc1ncc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C10H17F2N3OS/c1-2-13-10-14-5-8(17-10)6-15(3-4-16)7-9(11)12/h5,9,16H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyOUCRXRBXAPJWSP-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.63
Rot. Bonds8

About 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (PubChem CID 107486207) has the molecular formula C10H17F2N3OS and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
PubChem CID107486207
Molecular FormulaC10H17F2N3OS
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Name2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
SMILESCCNc1ncc(CN(CCO)CC(F)F)s1
InChIInChI=1S/C10H17F2N3OS/c1-2-13-10-14-5-8(17-10)6-15(3-4-16)7-9(11)12/h5,9,16H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyOUCRXRBXAPJWSP-UHFFFAOYSA-N
XLogP1.63
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 53626923
N-[5-(diethylaminomethyl)-1,3-thiazol-2-yl]acetamide
CID 22170819
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112014
5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112446
5-[(cyclopropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112447
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112493
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112540
N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112589
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750009

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol (CID 107486207) is 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is CCNc1ncc(CN(CCO)CC(F)F)s1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
The InChIKey is OUCRXRBXAPJWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3OS/c1-2-13-10-14-5-8(17-10)6-15(3-4-16)7-9(11)12/h5,9,16H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol has a molecular weight of 265.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 107486207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).