1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine

C14H16F3N3S — CID 75382636

IUPAC1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
SMILESCc1nc(CCNC(Cc2ccncc2)C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3S/c1-10-20-12(9-21-10)4-7-19-13(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,13,19H,4,7-8H2,1H3
InChIKeyUCIBAHGSHWWONB-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.15
Rot. Bonds6

About 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine

1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine (PubChem CID 75382636) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
PubChem CID75382636
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
SMILESCc1nc(CCNC(Cc2ccncc2)C(F)(F)F)cs1
InChIInChI=1S/C14H16F3N3S/c1-10-20-12(9-21-10)4-7-19-13(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,13,19H,4,7-8H2,1H3
InChIKeyUCIBAHGSHWWONB-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine with MolForge

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
3-[(2,5-Dimethyl-4-thiazolyl)ethynyl]pyridine
CID 11615445
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine (CID 75382636) is 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine is Cc1nc(CCNC(Cc2ccncc2)C(F)(F)F)cs1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
The InChIKey is UCIBAHGSHWWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-10-20-12(9-21-10)4-7-19-13(14(15,16)17)8-11-2-5-18-6-3-11/h2-3,5-6,9,13,19H,4,7-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine?
1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine has a molecular weight of 315.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 75382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).