5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C13H21F3N2S — CID 170133924

IUPAC5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C13H21F3N2S/c1-5-7-18(8-6-2)12-17-11(13(14,15)16)10(19-12)9(3)4/h9H,5-8H2,1-4H3
InChIKeyNYUHQLMOTWAVND-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.91
Rot. Bonds6

About 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 170133924) has the molecular formula C13H21F3N2S and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID170133924
Molecular FormulaC13H21F3N2S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C13H21F3N2S/c1-5-7-18(8-6-2)12-17-11(13(14,15)16)10(19-12)9(3)4/h9H,5-8H2,1-4H3
InChIKeyNYUHQLMOTWAVND-UHFFFAOYSA-N
XLogP4.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 170133924) is 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCCN(CCC)c1nc(C(F)(F)F)c(C(C)C)s1.
What is the InChIKey of 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is NYUHQLMOTWAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2S/c1-5-7-18(8-6-2)12-17-11(13(14,15)16)10(19-12)9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 294.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 170133924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).