4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C9H14F3N3S — CID 103360697

IUPAC4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3S/c1-5(2)15(4-9(10,11)12)8-6(3)7(13)14-16-8/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyNBFBLOQJPRWXEK-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.81
Rot. Bonds3

About 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360697) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360697
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3S/c1-5(2)15(4-9(10,11)12)8-6(3)7(13)14-16-8/h5H,4H2,1-3H3,(H2,13,14)
InChIKeyNBFBLOQJPRWXEK-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 103360590
CID 103360590
CID 103360596
CID 103360596
CID 103360691
CID 103360691
CID 103360699
CID 103360699
CID 103360701
CID 103360701
CID 103360706
CID 103360706
CID 103360721
CID 103360721
CID 103360727
CID 103360727
CID 103361148
CID 103361148
CID 103362746
CID 103362746
CID 103363216
CID 103363216
CID 103363222
CID 103363222

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360697) is 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NBFBLOQJPRWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-5(2)15(4-9(10,11)12)8-6(3)7(13)14-16-8/h5H,4H2,1-3H3,(H2,13,14).
What are the key properties of 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 253.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).