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

C6H8N2OS — CID 22916690

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
SMILESCc1cnc(CNC=O)s1
InChIInChI=1S/C6H8N2OS/c1-5-2-8-6(10-5)3-7-4-9/h2,4H,3H2,1H3,(H,7,9)
InChIKeyPSEAMBTXBKATMF-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.70
Rot. Bonds3

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide (PubChem CID 22916690) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
PubChem CID22916690
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
SMILESCc1cnc(CNC=O)s1
InChIInChI=1S/C6H8N2OS/c1-5-2-8-6(10-5)3-7-4-9/h2,4H,3H2,1H3,(H,7,9)
InChIKeyPSEAMBTXBKATMF-UHFFFAOYSA-N
XLogP0.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1,3-thiazol-2-yl)methyl]formamide?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide (CID 22916690) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide is Cc1cnc(CNC=O)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide?
The InChIKey is PSEAMBTXBKATMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-5-2-8-6(10-5)3-7-4-9/h2,4H,3H2,1H3,(H,7,9).
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide has a molecular weight of 156.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide is sourced from PubChem (CID 22916690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).