CID 57427260

C5H6NS — CID 57427260

IUPAC—
SMILESCc1n[c]sc1C
InChIInChI=1S/C5H6NS/c1-4-5(2)7-3-6-4/h1-2H3
InChIKeyNUBACSDRACHPMO-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.56
Rot. Bonds

About CID 57427260

CID 57427260 (PubChem CID 57427260) has the molecular formula C5H6NS and a molecular weight of 112.18 g/mol.

Molecular Properties

Compound NameCID 57427260
PubChem CID57427260
Molecular FormulaC5H6NS
Molecular Weight112.18 g/mol
Exact Mass112.02
IUPAC Name—
SMILESCc1n[c]sc1C
InChIInChI=1S/C5H6NS/c1-4-5(2)7-3-6-4/h1-2H3
InChIKeyNUBACSDRACHPMO-UHFFFAOYSA-N
XLogP1.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethylthiazole
CID 61653
2-Isopropyl-4,5-dimethylthiazole
CID 40787
4,5-Dimethylthiazole
CID 62510
2-Ethyl-4,5-dimethylthiazole
CID 522877
4,5-Dimethyl-2-isobutylthiazole
CID 104513
4,5-Dimethyl-2-propylthiazole
CID 521080
4,5-Dimethyl-2-pentylthiazole
CID 86065201
2-Butyl-4,5-dimethylthiazole
CID 53517
2-Bromo-4,5-dimethylthiazole
CID 9942366
2-Hexyl-4,5-dimethylthiazole
CID 86087415
5-(Chloromethyl)-2,4-dimethyl-1,3-thiazole
CID 15023058
4,5-Dimethyl-2-(tributylstannyl)-1,3-thiazole
CID 16427140

Frequently Asked Questions

What is the IUPAC name of CID 57427260?
The IUPAC name of CID 57427260 (CID 57427260) is not available.
What is the SMILES notation for CID 57427260?
The canonical SMILES for CID 57427260 is Cc1n[c]sc1C.
What is the InChIKey of CID 57427260?
The InChIKey is NUBACSDRACHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NS/c1-4-5(2)7-3-6-4/h1-2H3.
What are the key properties of CID 57427260?
CID 57427260 has a molecular weight of 112.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57427260 is sourced from PubChem (CID 57427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).