N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C19H16F3N3OS — CID 58791691

IUPACN-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1OCC1CC1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)15-8-14(5-6-17(15)26-10-12-3-4-12)24-18-25-16(11-27-18)13-2-1-7-23-9-13/h1-2,5-9,11-12H,3-4,10H2,(H,24,25)
InChIKeyFARCSTPILHEBNG-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.76
Rot. Bonds6

About N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791691) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791691
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1OCC1CC1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)15-8-14(5-6-17(15)26-10-12-3-4-12)24-18-25-16(11-27-18)13-2-1-7-23-9-13/h1-2,5-9,11-12H,3-4,10H2,(H,24,25)
InChIKeyFARCSTPILHEBNG-UHFFFAOYSA-N
XLogP5.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791312
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-[4-[(Z)-oct-5-enoxy]-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791229
N-[4-octan-2-yloxy-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791822
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 58791233
N-[4-oct-1-ynyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791342
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
2-[2-phenoxy-5-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]acetaldehyde
CID 87483194
4-(6-fluoro-3-pyridinyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791211
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
CID 143328910
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791691) is N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1OCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FARCSTPILHEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c20-19(21,22)15-8-14(5-6-17(15)26-10-12-3-4-12)24-18-25-16(11-27-18)13-2-1-7-23-9-13/h1-2,5-9,11-12H,3-4,10H2,(H,24,25).
What are the key properties of N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 391.42 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).