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

C8H13F2N3S — CID 131049242

IUPAC5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CC(F)F
InChIInChI=1S/C8H13F2N3S/c1-4(3-6(9)10)12-8-5(2)7(11)13-14-8/h4,6,12H,3H2,1-2H3,(H2,11,13)
InChIKeyGWZNRPCRRSYMPX-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.49
Rot. Bonds4

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

5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 131049242) has the molecular formula C8H13F2N3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID131049242
Molecular FormulaC8H13F2N3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC(C)CC(F)F
InChIInChI=1S/C8H13F2N3S/c1-4(3-6(9)10)12-8-5(2)7(11)13-14-8/h4,6,12H,3H2,1-2H3,(H2,11,13)
InChIKeyGWZNRPCRRSYMPX-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
CID 14171363
3-Amino-5-(butylamino)-1,2-thiazole-4-carbonitrile
CID 14171366
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360697
5-N-ethyl-4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360706
4-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360727
4-methylsulfanyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361142
4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
4-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361718
4-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362746
5-N,4-dimethyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363222
4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363598

Frequently Asked Questions

What is the IUPAC name of 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine (CID 131049242) is 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC(C)CC(F)F.
What is the InChIKey of 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is GWZNRPCRRSYMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3S/c1-4(3-6(9)10)12-8-5(2)7(11)13-14-8/h4,6,12H,3H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 221.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4,4-difluorobutan-2-yl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 131049242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).