N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide

C11H13N3OS2 — CID 146125500

IUPACN-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCSC1)c1csc2cncn12
InChIInChI=1S/C11H13N3OS2/c15-11(13-8-2-1-3-16-5-8)9-6-17-10-4-12-7-14(9)10/h4,6-8H,1-3,5H2,(H,13,15)
InChIKeyXEDVGEPDMXAPFG-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.02
Rot. Bonds2

About N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide

N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide (PubChem CID 146125500) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
PubChem CID146125500
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCSC1)c1csc2cncn12
InChIInChI=1S/C11H13N3OS2/c15-11(13-8-2-1-3-16-5-8)9-6-17-10-4-12-7-14(9)10/h4,6-8H,1-3,5H2,(H,13,15)
InChIKeyXEDVGEPDMXAPFG-UHFFFAOYSA-N
XLogP2.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide (CID 146125500) is N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide is O=C(NC1CCCSC1)c1csc2cncn12.
What is the InChIKey of N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is XEDVGEPDMXAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c15-11(13-8-2-1-3-16-5-8)9-6-17-10-4-12-7-14(9)10/h4,6-8H,1-3,5H2,(H,13,15).
What are the key properties of N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide?
N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)imidazo[5,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 146125500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).