N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

C20H14F3N5O2S2 — CID 25153452

IUPACN-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc2ccsc12)c1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H14F3N5O2S2/c1-10(27-17(29)15-16-13(6-7-31-16)25-9-26-15)14-8-24-19(32-14)18(30)28-12-4-2-11(3-5-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)
InChIKeyHAYDQWUNVXVISU-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.91
Rot. Bonds5

About N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25153452) has the molecular formula C20H14F3N5O2S2 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25153452
Molecular FormulaC20H14F3N5O2S2
Molecular Weight477.49 g/mol
Exact Mass477.05
IUPAC NameN-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ncnc2ccsc12)c1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C20H14F3N5O2S2/c1-10(27-17(29)15-16-13(6-7-31-16)25-9-26-15)14-8-24-19(32-14)18(30)28-12-4-2-11(3-5-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)
InChIKeyHAYDQWUNVXVISU-UHFFFAOYSA-N
XLogP4.91
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 46842332
1-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 142688456
6-amino-5-chloro-N-[1-[2-[4-[(E)-1,1-difluorobut-2-enyl]anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide
CID 129090910
3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one
CID 63196611
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18275346
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
1-(2-methylsulfonylethyl)-N-[(1R)-1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 88575129
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
1-[2-(methylamino)-2-oxoethyl]-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 90959471

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (CID 25153452) is N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is CC(NC(=O)c1ncnc2ccsc12)c1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is HAYDQWUNVXVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S2/c1-10(27-17(29)15-16-13(6-7-31-16)25-9-26-15)14-8-24-19(32-14)18(30)28-12-4-2-11(3-5-12)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25153452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).