N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine

C9H14F3N3S — CID 75442120

IUPACN-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N(C)CCC(F)(F)F)s1
InChIInChI=1S/C9H14F3N3S/c1-3-4-7-13-14-8(16-7)15(2)6-5-9(10,11)12/h3-6H2,1-2H3
InChIKeyBOJOGRSUUJZIJF-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75442120) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
PubChem CID75442120
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC NameN-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N(C)CCC(F)(F)F)s1
InChIInChI=1S/C9H14F3N3S/c1-3-4-7-13-14-8(16-7)15(2)6-5-9(10,11)12/h3-6H2,1-2H3
InChIKeyBOJOGRSUUJZIJF-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine (CID 75442120) is N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine is CCCc1nnc(N(C)CCC(F)(F)F)s1.
What is the InChIKey of N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BOJOGRSUUJZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-3-4-7-13-14-8(16-7)15(2)6-5-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75442120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).