5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C8H13F2N3OS — CID 103364767

IUPAC5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC(F)F
InChIInChI=1S/C8H13F2N3OS/c1-4(2)14-6-7(11)13-15-8(6)12-3-5(9)10/h4-5,12H,3H2,1-2H3,(H2,11,13)
InChIKeyXKBJQMVCTQNDNT-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.19
Rot. Bonds5

About 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103364767) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103364767
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC(F)F
InChIInChI=1S/C8H13F2N3OS/c1-4(2)14-6-7(11)13-15-8(6)12-3-5(9)10/h4-5,12H,3H2,1-2H3,(H2,11,13)
InChIKeyXKBJQMVCTQNDNT-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360595
4-ethoxy-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360696
5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360698
5-N-ethyl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360708
4-ethoxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360726
4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360728
4-ethoxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361147
4-propan-2-yloxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361150
4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361718
4-propan-2-yloxy-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361720
4-Ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362745
4-Propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362748

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103364767) is 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is XKBJQMVCTQNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-4(2)14-6-7(11)13-15-8(6)12-3-5(9)10/h4-5,12H,3H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 237.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).