N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3S — CID 62766967

IUPACN-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C13H22F3N3S/c1-5-6-10-11(7-17-9(2)3)20-12(18-10)19(4)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyBKJCUMDMWYLTSY-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.59
Rot. Bonds7

About N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62766967) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62766967
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC NameN-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1CNC(C)C
InChIInChI=1S/C13H22F3N3S/c1-5-6-10-11(7-17-9(2)3)20-12(18-10)19(4)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyBKJCUMDMWYLTSY-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62766967) is N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCc1nc(N(C)CC(F)(F)F)sc1CNC(C)C.
What is the InChIKey of N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is BKJCUMDMWYLTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-5-6-10-11(7-17-9(2)3)20-12(18-10)19(4)8-13(14,15)16/h9,17H,5-8H2,1-4H3.
What are the key properties of N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).