2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide

C14H17N3OS2 — CID 43786501

IUPAC2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCc1ncsc1C(C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H17N3OS2/c1-9-14(20-8-16-9)10(2)17-11-5-3-4-6-12(11)19-7-13(15)18/h3-6,8,10,17H,7H2,1-2H3,(H2,15,18)
InChIKeyKCYHTUPATMQHCB-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide

2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide (PubChem CID 43786501) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
PubChem CID43786501
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
SMILESCc1ncsc1C(C)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H17N3OS2/c1-9-14(20-8-16-9)10(2)17-11-5-3-4-6-12(11)19-7-13(15)18/h3-6,8,10,17H,7H2,1-2H3,(H2,15,18)
InChIKeyKCYHTUPATMQHCB-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide (CID 43786501) is 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide is Cc1ncsc1C(C)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is KCYHTUPATMQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-14(20-8-16-9)10(2)17-11-5-3-4-6-12(11)19-7-13(15)18/h3-6,8,10,17H,7H2,1-2H3,(H2,15,18).
What are the key properties of 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide?
2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 307.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43786501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).