N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide

C16H15N5O3S — CID 50959350

IUPACN-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCc1ccc(OCCc2nnc(NC(=O)c3c[nH]c(=O)cn3)s2)cc1
InChIInChI=1S/C16H15N5O3S/c1-10-2-4-11(5-3-10)24-7-6-14-20-21-16(25-14)19-15(23)12-8-18-13(22)9-17-12/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyYGRDXEVZDHJZBX-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.80
Rot. Bonds6

About N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide

N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 50959350) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID50959350
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCc1ccc(OCCc2nnc(NC(=O)c3c[nH]c(=O)cn3)s2)cc1
InChIInChI=1S/C16H15N5O3S/c1-10-2-4-11(5-3-10)24-7-6-14-20-21-16(25-14)19-15(23)12-8-18-13(22)9-17-12/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyYGRDXEVZDHJZBX-UHFFFAOYSA-N
XLogP1.80
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
N-methyl-5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-amine
CID 13272840
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
1-[2-(1H-imidazol-5-yl)ethyl]-3-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 46997295
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319563
2,2-dimethyl-N-[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946193

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide (CID 50959350) is N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide is Cc1ccc(OCCc2nnc(NC(=O)c3c[nH]c(=O)cn3)s2)cc1.
What is the InChIKey of N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is YGRDXEVZDHJZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-10-2-4-11(5-3-10)24-7-6-14-20-21-16(25-14)19-15(23)12-8-18-13(22)9-17-12/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,21,23).
What are the key properties of N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 50959350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).