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

C4H4N2OS — CID 3736156

IUPACN-(1,3-thiazol-2-yl)formamide
SMILESO=CNc1nccs1
InChIInChI=1S/C4H4N2OS/c7-3-6-4-5-1-2-8-4/h1-3H,(H,5,6,7)
InChIKeyPOOAXOGRBVEUFA-UHFFFAOYSA-N
MW128.16 g/mol
LogP0.71
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)formamide (PubChem CID 3736156) has the molecular formula C4H4N2OS and a molecular weight of 128.16 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)formamide
PubChem CID3736156
Molecular FormulaC4H4N2OS
Molecular Weight128.16 g/mol
Exact Mass128.00
IUPAC NameN-(1,3-thiazol-2-yl)formamide
SMILESO=CNc1nccs1
InChIInChI=1S/C4H4N2OS/c7-3-6-4-5-1-2-8-4/h1-3H,(H,5,6,7)
InChIKeyPOOAXOGRBVEUFA-UHFFFAOYSA-N
XLogP0.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiazole
CID 2155
2-Acetamidothiazole
CID 17625
Butyl 1,3-thiazol-2-ylcarbamate
CID 1562703
2-Thiazolecarbamic acid, ethyl ester
CID 77241
2-cyano-N-(1,3-thiazol-2-yl)acetamide
CID 693166
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
N-methyl-1,3-thiazol-2-amine
CID 11959081
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
Azane;1,3-thiazol-2-ylcarbamoylsulfamic acid
CID 168299156
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)formamide?
The IUPAC name of N-(1,3-thiazol-2-yl)formamide (CID 3736156) is N-(1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)formamide is O=CNc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)formamide?
The InChIKey is POOAXOGRBVEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS/c7-3-6-4-5-1-2-8-4/h1-3H,(H,5,6,7).
What are the key properties of N-(1,3-thiazol-2-yl)formamide?
N-(1,3-thiazol-2-yl)formamide has a molecular weight of 128.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 3736156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).