N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C9H14N4OS2 — CID 163951642

IUPACN-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCSc1csc(NC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H14N4OS2/c1-15-7-6-16-8(11-7)12-9(14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyRZVFJDHLFIDEEO-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.30
Rot. Bonds2

About N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 163951642) has the molecular formula C9H14N4OS2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID163951642
Molecular FormulaC9H14N4OS2
Molecular Weight258.37 g/mol
Exact Mass258.06
IUPAC NameN-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCSc1csc(NC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H14N4OS2/c1-15-7-6-16-8(11-7)12-9(14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyRZVFJDHLFIDEEO-UHFFFAOYSA-N
XLogP1.30
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 163951642) is N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CSc1csc(NC(=O)N2CCNCC2)n1.
What is the InChIKey of N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RZVFJDHLFIDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS2/c1-15-7-6-16-8(11-7)12-9(14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14).
What are the key properties of N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 163951642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).