N-(4-methyl-1,3-thiazol-2-yl)formamide

C5H6N2OS — CID 3717795

IUPACN-(4-methyl-1,3-thiazol-2-yl)formamide
SMILESCc1csc(NC=O)n1
InChIInChI=1S/C5H6N2OS/c1-4-2-9-5(7-4)6-3-8/h2-3H,1H3,(H,6,7,8)
InChIKeySLQWHBVLWBWDQZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.02
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)formamide

N-(4-methyl-1,3-thiazol-2-yl)formamide (PubChem CID 3717795) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)formamide
PubChem CID3717795
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)formamide
SMILESCc1csc(NC=O)n1
InChIInChI=1S/C5H6N2OS/c1-4-2-9-5(7-4)6-3-8/h2-3H,1H3,(H,6,7,8)
InChIKeySLQWHBVLWBWDQZ-UHFFFAOYSA-N
XLogP1.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.02
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-(4-methyl-1,3-thiazol-2-yl)formamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)formamide (CID 3717795) is N-(4-methyl-1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)formamide is Cc1csc(NC=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)formamide?
The InChIKey is SLQWHBVLWBWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-4-2-9-5(7-4)6-3-8/h2-3H,1H3,(H,6,7,8).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)formamide?
N-(4-methyl-1,3-thiazol-2-yl)formamide has a molecular weight of 142.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 3717795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).