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

C16H20F3N3S2 — CID 129016718

IUPACN-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C(F)(F)F)cs2)c(CN2CCCCC2C)s1
InChIInChI=1S/C16H20F3N3S2/c1-10-5-3-4-6-22(10)8-13-14(21-15(20-2)24-13)12-7-11(9-23-12)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyCJVPDKQIJPUHNI-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.31
Rot. Bonds4

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

N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine (PubChem CID 129016718) has the molecular formula C16H20F3N3S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
PubChem CID129016718
Molecular FormulaC16H20F3N3S2
Molecular Weight375.49 g/mol
Exact Mass375.11
IUPAC NameN-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C(F)(F)F)cs2)c(CN2CCCCC2C)s1
InChIInChI=1S/C16H20F3N3S2/c1-10-5-3-4-6-22(10)8-13-14(21-15(20-2)24-13)12-7-11(9-23-12)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyCJVPDKQIJPUHNI-UHFFFAOYSA-N
XLogP5.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 6902843
3-butyl-1-methyl-1-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]thiourea
CID 6902795
4-(4-fluorophenyl)-5-[2-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-N-methyl-1,3-thiazol-2-amine
CID 44213603
N-(2,2-difluoro-2-phenylethyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 117853747
4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630449
4-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118630538
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
4-(3-ethyl-5-fluorophenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118909465
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine
CID 126741249
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
5-[[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016239
4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 129016292

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine (CID 129016718) is N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine is CNc1nc(-c2cc(C(F)(F)F)cs2)c(CN2CCCCC2C)s1.
What is the InChIKey of N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The InChIKey is CJVPDKQIJPUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3S2/c1-10-5-3-4-6-22(10)8-13-14(21-15(20-2)24-13)12-7-11(9-23-12)16(17,18)19/h7,9-10H,3-6,8H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine has a molecular weight of 375.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpiperidin-1-yl)methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129016718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).