N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide

C15H18N4O2S — CID 170774180

IUPACN-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2cncc(-c3cncs3)n2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-11-4-2-10(3-5-11)18-15(20)13-7-16-6-12(19-13)14-8-17-9-22-14/h6-11H,2-5H2,1H3,(H,18,20)
InChIKeyBJPOIXQDAMHWFM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.29
Rot. Bonds4

About N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide

N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide (PubChem CID 170774180) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide
PubChem CID170774180
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2cncc(-c3cncs3)n2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-11-4-2-10(3-5-11)18-15(20)13-7-16-6-12(19-13)14-8-17-9-22-14/h6-11H,2-5H2,1H3,(H,18,20)
InChIKeyBJPOIXQDAMHWFM-UHFFFAOYSA-N
XLogP2.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide (CID 170774180) is N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide is COC1CCC(NC(=O)c2cncc(-c3cncs3)n2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is BJPOIXQDAMHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-11-4-2-10(3-5-11)18-15(20)13-7-16-6-12(19-13)14-8-17-9-22-14/h6-11H,2-5H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide?
N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-6-(1,3-thiazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 170774180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).