4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide

C11H17N3OS2 — CID 142075752

IUPAC4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)c1cnc(C2CSCN2C(N)=O)s1
InChIInChI=1S/C11H17N3OS2/c1-11(2,3)8-4-13-9(17-8)7-5-16-6-14(7)10(12)15/h4,7H,5-6H2,1-3H3,(H2,12,15)
InChIKeyQCHXUSBLKLINJK-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.57
Rot. Bonds1

About 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide

4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide (PubChem CID 142075752) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
PubChem CID142075752
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)c1cnc(C2CSCN2C(N)=O)s1
InChIInChI=1S/C11H17N3OS2/c1-11(2,3)8-4-13-9(17-8)7-5-16-6-14(7)10(12)15/h4,7H,5-6H2,1-3H3,(H2,12,15)
InChIKeyQCHXUSBLKLINJK-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide (CID 142075752) is 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide is CC(C)(C)c1cnc(C2CSCN2C(N)=O)s1.
What is the InChIKey of 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is QCHXUSBLKLINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-11(2,3)8-4-13-9(17-8)7-5-16-6-14(7)10(12)15/h4,7H,5-6H2,1-3H3,(H2,12,15).
What are the key properties of 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide?
4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 142075752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).