N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide

C14H18N4O2S — CID 122652435

IUPACN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)c1nc(C)cs1
InChIInChI=1S/C14H18N4O2S/c1-8-5-15-11(13(17-8)20-4)6-16-12(19)10(3)14-18-9(2)7-21-14/h5,7,10H,6H2,1-4H3,(H,16,19)
InChIKeyTYXBXSGGXADHQG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.98
Rot. Bonds5

About N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide

N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 122652435) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID122652435
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)c1nc(C)cs1
InChIInChI=1S/C14H18N4O2S/c1-8-5-15-11(13(17-8)20-4)6-16-12(19)10(3)14-18-9(2)7-21-14/h5,7,10H,6H2,1-4H3,(H,16,19)
InChIKeyTYXBXSGGXADHQG-UHFFFAOYSA-N
XLogP1.98
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 122652435) is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide is COc1nc(C)cnc1CNC(=O)C(C)c1nc(C)cs1.
What is the InChIKey of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is TYXBXSGGXADHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-5-15-11(13(17-8)20-4)6-16-12(19)10(3)14-18-9(2)7-21-14/h5,7,10H,6H2,1-4H3,(H,16,19).
What are the key properties of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide?
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 122652435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).