4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine

C9H13F2N3S — CID 103365693

IUPAC4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C9H13F2N3S/c1-14(4-6(10)11)9-7(5-2-3-5)8(12)13-15-9/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyWHYUVNRLCVQKDV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.30
Rot. Bonds4

About 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365693) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365693
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C9H13F2N3S/c1-14(4-6(10)11)9-7(5-2-3-5)8(12)13-15-9/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyWHYUVNRLCVQKDV-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360597
4-cyclopropyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360707
4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361149
4-Cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363223
4-Cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363229
4-Cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363235
4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363599
4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364109
4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364766
4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364951
4-cyclopropyl-5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942306

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103365693) is 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is CN(CC(F)F)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is WHYUVNRLCVQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c1-14(4-6(10)11)9-7(5-2-3-5)8(12)13-15-9/h5-6H,2-4H2,1H3,(H2,12,13).
What are the key properties of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 233.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).