N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

C19H12F3N5O2S — CID 141380017

IUPACN-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C19H12F3N5O2S/c20-19(21,22)29-13-4-2-12(3-5-13)26-16-14-6-1-11(9-15(14)24-10-25-16)17(28)27-18-23-7-8-30-18/h1-10H,(H,23,27,28)(H,24,25,26)
InChIKeyMDELFPLJSIUCPN-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.98
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (PubChem CID 141380017) has the molecular formula C19H12F3N5O2S and a molecular weight of 431.40 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
PubChem CID141380017
Molecular FormulaC19H12F3N5O2S
Molecular Weight431.40 g/mol
Exact Mass431.07
IUPAC NameN-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C19H12F3N5O2S/c20-19(21,22)29-13-4-2-12(3-5-13)26-16-14-6-1-11(9-15(14)24-10-25-16)17(28)27-18-23-7-8-30-18/h1-10H,(H,23,27,28)(H,24,25,26)
InChIKeyMDELFPLJSIUCPN-UHFFFAOYSA-N
XLogP4.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 71001471
4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbaldehyde
CID 126745164
(3-hydroxypyrrolidin-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 68627621
(5-propylazocan-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 126745159
methyl 1-[4-(trifluoromethoxy)anilino]isoquinoline-6-carboxylate
CID 156565059
ethyl 1-[4-[4-(trifluoromethoxy)anilino]quinazoline-7-carbonyl]piperidine-3-carboxylate
CID 68628228
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-(2-hydroxyethyl)-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42633119
ethyl 4-[[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19146330
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (CID 141380017) is N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is O=C(Nc1nccs1)c1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The InChIKey is MDELFPLJSIUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2S/c20-19(21,22)29-13-4-2-12(3-5-13)26-16-14-6-1-11(9-15(14)24-10-25-16)17(28)27-18-23-7-8-30-18/h1-10H,(H,23,27,28)(H,24,25,26).
What are the key properties of N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide has a molecular weight of 431.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is sourced from PubChem (CID 141380017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).