N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine

C15H20F3N3S2 — CID 129016707

IUPACN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine
SMILESCNC1NC(c2cc(C(F)(F)F)cs2)=C(CN2CCCC2C)S1
InChIInChI=1S/C15H20F3N3S2/c1-9-4-3-5-21(9)7-12-13(20-14(19-2)23-12)11-6-10(8-22-11)15(16,17)18/h6,8-9,14,19-20H,3-5,7H2,1-2H3
InChIKeyMEDSMMMSZPFNIR-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.76
Rot. Bonds4

About N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine

N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine (PubChem CID 129016707) has the molecular formula C15H20F3N3S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine
PubChem CID129016707
Molecular FormulaC15H20F3N3S2
Molecular Weight363.47 g/mol
Exact Mass363.11
IUPAC NameN-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine
SMILESCNC1NC(c2cc(C(F)(F)F)cs2)=C(CN2CCCC2C)S1
InChIInChI=1S/C15H20F3N3S2/c1-9-4-3-5-21(9)7-12-13(20-14(19-2)23-12)11-6-10(8-22-11)15(16,17)18/h6,8-9,14,19-20H,3-5,7H2,1-2H3
InChIKeyMEDSMMMSZPFNIR-UHFFFAOYSA-N
XLogP3.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine (CID 129016707) is N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine is CNC1NC(c2cc(C(F)(F)F)cs2)=C(CN2CCCC2C)S1.
What is the InChIKey of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine?
The InChIKey is MEDSMMMSZPFNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3S2/c1-9-4-3-5-21(9)7-12-13(20-14(19-2)23-12)11-6-10(8-22-11)15(16,17)18/h6,8-9,14,19-20H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-2,3-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 129016707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).