N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide

C9H9N3OS2 — CID 126664103

IUPACN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide
SMILESCc1nc(C)c(-c2csc(NC=O)n2)s1
InChIInChI=1S/C9H9N3OS2/c1-5-8(15-6(2)11-5)7-3-14-9(12-7)10-4-13/h3-4H,1-2H3,(H,10,12,13)
InChIKeyRZRKGCRGBNKTNV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.45
Rot. Bonds3

About N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide (PubChem CID 126664103) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide
PubChem CID126664103
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide
SMILESCc1nc(C)c(-c2csc(NC=O)n2)s1
InChIInChI=1S/C9H9N3OS2/c1-5-8(15-6(2)11-5)7-3-14-9(12-7)10-4-13/h3-4H,1-2H3,(H,10,12,13)
InChIKeyRZRKGCRGBNKTNV-UHFFFAOYSA-N
XLogP2.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide (CID 126664103) is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide is Cc1nc(C)c(-c2csc(NC=O)n2)s1.
What is the InChIKey of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide?
The InChIKey is RZRKGCRGBNKTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-5-8(15-6(2)11-5)7-3-14-9(12-7)10-4-13/h3-4H,1-2H3,(H,10,12,13).
What are the key properties of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide?
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide has a molecular weight of 239.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 126664103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).