N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide

C10H10N4OS — CID 163400924

IUPACN-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide
SMILESCc1ncsc1-c1cnc(CNC=O)cn1
InChIInChI=1S/C10H10N4OS/c1-7-10(16-6-14-7)9-4-12-8(3-13-9)2-11-5-15/h3-6H,2H2,1H3,(H,11,15)
InChIKeyYBTUCLAYFVIKMS-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.15
Rot. Bonds4

About N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide

N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide (PubChem CID 163400924) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide
PubChem CID163400924
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide
SMILESCc1ncsc1-c1cnc(CNC=O)cn1
InChIInChI=1S/C10H10N4OS/c1-7-10(16-6-14-7)9-4-12-8(3-13-9)2-11-5-15/h3-6H,2H2,1H3,(H,11,15)
InChIKeyYBTUCLAYFVIKMS-UHFFFAOYSA-N
XLogP1.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide?
The IUPAC name of N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide (CID 163400924) is N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide.
What is the SMILES notation for N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide?
The canonical SMILES for N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide is Cc1ncsc1-c1cnc(CNC=O)cn1.
What is the InChIKey of N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide?
The InChIKey is YBTUCLAYFVIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7-10(16-6-14-7)9-4-12-8(3-13-9)2-11-5-15/h3-6H,2H2,1H3,(H,11,15).
What are the key properties of N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide?
N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide has a molecular weight of 234.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide is sourced from PubChem (CID 163400924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).