5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C26H24F3N5OS — CID 11598708

IUPAC5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN1CCC(c2cc(NC(=O)c3csc(-c4ccc5nc(N)ncc5c4)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N5OS/c1-34-6-4-15(5-7-34)17-9-20(26(27,28)29)12-21(10-17)32-24(35)19-11-23(36-14-19)16-2-3-22-18(8-16)13-31-25(30)33-22/h2-3,8-15H,4-7H2,1H3,(H,32,35)(H2,30,31,33)
InChIKeyCMDQSZLMKSWCQF-UHFFFAOYSA-N
MW511.57 g/mol
LogP6.02
Rot. Bonds4

About 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide

5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 11598708) has the molecular formula C26H24F3N5OS and a molecular weight of 511.57 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID11598708
Molecular FormulaC26H24F3N5OS
Molecular Weight511.57 g/mol
Exact Mass511.17
IUPAC Name5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN1CCC(c2cc(NC(=O)c3csc(-c4ccc5nc(N)ncc5c4)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N5OS/c1-34-6-4-15(5-7-34)17-9-20(26(27,28)29)12-21(10-17)32-24(35)19-11-23(36-14-19)16-2-3-22-18(8-16)13-31-25(30)33-22/h2-3,8-15H,4-7H2,1H3,(H,32,35)(H2,30,31,33)
InChIKeyCMDQSZLMKSWCQF-UHFFFAOYSA-N
XLogP6.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 15991573
CID 15991573
CID 9549298
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CID 16086088
CID 16086088
CID 25138148
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CID 24812719
CID 24812719
CID 91886057
CID 91886057
CID 11510392
CID 11510392
CID 16086077
CID 16086077
CID 16086091
CID 16086091
CID 16086099
CID 16086099
CID 16086110
CID 16086110
CID 16086111
CID 16086111

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 11598708) is 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide is CN1CCC(c2cc(NC(=O)c3csc(-c4ccc5nc(N)ncc5c4)c3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is CMDQSZLMKSWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5OS/c1-34-6-4-15(5-7-34)17-9-20(26(27,28)29)12-21(10-17)32-24(35)19-11-23(36-14-19)16-2-3-22-18(8-16)13-31-25(30)33-22/h2-3,8-15H,4-7H2,1H3,(H,32,35)(H2,30,31,33).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 511.57 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-N-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 11598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).