3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C18H16F3N5O3S — CID 155352273

IUPAC3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cnsc2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O3S/c1-28-17-15(26-14(9-23-17)25-12-8-24-30-10-12)16(27)22-7-6-11-2-4-13(5-3-11)29-18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,27)(H,25,26)
InChIKeyUMBMWOVBJQAMDS-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.56
Rot. Bonds8

About 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 155352273) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID155352273
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cnsc2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F3N5O3S/c1-28-17-15(26-14(9-23-17)25-12-8-24-30-10-12)16(27)22-7-6-11-2-4-13(5-3-11)29-18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,27)(H,25,26)
InChIKeyUMBMWOVBJQAMDS-UHFFFAOYSA-N
XLogP3.56
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,5-difluoroanilino)-3-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 155352419
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
5-(methoxymethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78882053
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940810
4-(2-acetamidoethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30685595
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 155352273) is 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is COc1ncc(Nc2cnsc2)nc1C(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is UMBMWOVBJQAMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c1-28-17-15(26-14(9-23-17)25-12-8-24-30-10-12)16(27)22-7-6-11-2-4-13(5-3-11)29-18(19,20)21/h2-5,8-10H,6-7H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(1,2-thiazol-4-ylamino)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155352273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).