N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide

C16H18F3N5OS — CID 71797055

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-2-3-10-14(26-24-23-10)15(25)20-7-6-13-21-11(9-4-5-9)8-12(22-13)16(17,18)19/h8-9H,2-7H2,1H3,(H,20,25)
InChIKeyUVAWXOUKQSEIGA-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.15
Rot. Bonds7

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 71797055) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID71797055
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-2-3-10-14(26-24-23-10)15(25)20-7-6-13-21-11(9-4-5-9)8-12(22-13)16(17,18)19/h8-9H,2-7H2,1H3,(H,20,25)
InChIKeyUVAWXOUKQSEIGA-UHFFFAOYSA-N
XLogP3.15
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide (CID 71797055) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is UVAWXOUKQSEIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-2-3-10-14(26-24-23-10)15(25)20-7-6-13-21-11(9-4-5-9)8-12(22-13)16(17,18)19/h8-9H,2-7H2,1H3,(H,20,25).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 71797055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).