N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine

C17H16F3N3OS — CID 134867971

IUPACN,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2c(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C17H16F3N3OS/c1-3-23(4-2)10-5-6-11-12(9-10)24-15(21)13(14(11)17(18,19)20)16-22-7-8-25-16/h5-9,21H,3-4H2,1-2H3/b21-15-
InChIKeyOPYUIYHBFZIEPD-QNGOZBTKSA-N
MW367.40 g/mol
LogP4.90
Rot. Bonds4

About N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine

N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine (PubChem CID 134867971) has the molecular formula C17H16F3N3OS and a molecular weight of 367.40 g/mol. Its IUPAC name is N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine.

Molecular Properties

Compound NameN,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine
PubChem CID134867971
Molecular FormulaC17H16F3N3OS
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2c(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C17H16F3N3OS/c1-3-23(4-2)10-5-6-11-12(9-10)24-15(21)13(14(11)17(18,19)20)16-22-7-8-25-16/h5-9,21H,3-4H2,1-2H3/b21-15-
InChIKeyOPYUIYHBFZIEPD-QNGOZBTKSA-N
XLogP4.90
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
N'-tert-butyl-N-[3-methoxy-4-(1,3-thiazol-5-yl)phenyl]oxamide
CID 44291510
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
CID 134867970
7-(Diethylamino)-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134911772
7-Diethylamino-3-(2-thiazolyl)coumarin
CID 15491447
2-(1,3-Thiazol-2-yl)-3-(trifluoromethoxy)aniline
CID 57296863
4-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 58324105
4-buta-1,3-dienyl-2-[7-[4-(3-fluoropropyl)piperazin-1-yl]-4H-chromen-3-yl]-5-methyl-1,3-thiazole
CID 89655582
1,1,1-trifluoro-N-[3-methoxy-4-[2-[2-(2-methylpropyl)pyridin-4-yl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 117927013
N-[3-octoxy-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 123551517

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine?
The IUPAC name of N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine (CID 134867971) is N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine.
What is the SMILES notation for N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine?
The canonical SMILES for N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine is [H]/N=c1\oc2cc(N(CC)CC)ccc2c(C(F)(F)F)c1-c1nccs1.
What is the InChIKey of N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine?
The InChIKey is OPYUIYHBFZIEPD-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H16F3N3OS/c1-3-23(4-2)10-5-6-11-12(9-10)24-15(21)13(14(11)17(18,19)20)16-22-7-8-25-16/h5-9,21H,3-4H2,1-2H3/b21-15-.
What are the key properties of N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine?
N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine has a molecular weight of 367.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-imino-3-(1,3-thiazol-2-yl)-4-(trifluoromethyl)chromen-7-amine is sourced from PubChem (CID 134867971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).