[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone

C14H16N4O2S — CID 163271807

IUPAC[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1cncc(-c2cnc(C(=O)N3CCCC3)s2)n1
InChIInChI=1S/C14H16N4O2S/c1-2-20-12-9-15-7-10(17-12)11-8-16-13(21-11)14(19)18-5-3-4-6-18/h7-9H,2-6H2,1H3
InChIKeyCPJHCPZCXIHDIQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.23
Rot. Bonds4

About [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 163271807) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID163271807
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1cncc(-c2cnc(C(=O)N3CCCC3)s2)n1
InChIInChI=1S/C14H16N4O2S/c1-2-20-12-9-15-7-10(17-12)11-8-16-13(21-11)14(19)18-5-3-4-6-18/h7-9H,2-6H2,1H3
InChIKeyCPJHCPZCXIHDIQ-UHFFFAOYSA-N
XLogP2.23
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-ethoxypyrazin-2-yl)-2-methyl-1,3-thiazole
CID 163271121
5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
CID 163271647
5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271022
N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271720
N-[(1R)-1-[3-(difluoromethylsulfonylamino)phenyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251516
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184
N-[(1R)-2-(azetidin-1-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167035138
N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167386355
ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
CID 163271303
N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide
CID 163271128
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271197
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195

Frequently Asked Questions

What is the IUPAC name of [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 163271807) is [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone is CCOc1cncc(-c2cnc(C(=O)N3CCCC3)s2)n1.
What is the InChIKey of [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CPJHCPZCXIHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-2-20-12-9-15-7-10(17-12)11-8-16-13(21-11)14(19)18-5-3-4-6-18/h7-9H,2-6H2,1H3.
What are the key properties of [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163271807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).