N-(3-methyl-1,3-thiazol-2-ylidene)formamide

C5H6N2OS — CID 142155624

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)formamide
SMILESCn1ccs/c1=N\C=O
InChIInChI=1S/C5H6N2OS/c1-7-2-3-9-5(7)6-4-8/h2-4H,1H3/b6-5-
InChIKeyQBALXELVUBPPFP-WAYWQWQTSA-N
MW142.18 g/mol
LogP0.14
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)formamide

N-(3-methyl-1,3-thiazol-2-ylidene)formamide (PubChem CID 142155624) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)formamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)formamide
PubChem CID142155624
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)formamide
SMILESCn1ccs/c1=N\C=O
InChIInChI=1S/C5H6N2OS/c1-7-2-3-9-5(7)6-4-8/h2-4H,1H3/b6-5-
InChIKeyQBALXELVUBPPFP-WAYWQWQTSA-N
XLogP0.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
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-(3-methyl-1,3-thiazol-2-ylidene)formamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)formamide (CID 142155624) is N-(3-methyl-1,3-thiazol-2-ylidene)formamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)formamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)formamide is Cn1ccs/c1=N\C=O.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)formamide?
The InChIKey is QBALXELVUBPPFP-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-7-2-3-9-5(7)6-4-8/h2-4H,1H3/b6-5-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)formamide?
N-(3-methyl-1,3-thiazol-2-ylidene)formamide has a molecular weight of 142.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)formamide is sourced from PubChem (CID 142155624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).