2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C11H14N4OS3 — CID 43249930

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C11H14N4OS3/c1-15(2)9(16)3-8-14-7(5-17-8)6-18-10-4-13-11(12)19-10/h4-5H,3,6H2,1-2H3,(H2,12,13)
InChIKeyRYERFHYFWSVIFW-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.10
Rot. Bonds5

About 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 43249930) has the molecular formula C11H14N4OS3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID43249930
Molecular FormulaC11H14N4OS3
Molecular Weight314.46 g/mol
Exact Mass314.03
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C11H14N4OS3/c1-15(2)9(16)3-8-14-7(5-17-8)6-18-10-4-13-11(12)19-10/h4-5H,3,6H2,1-2H3,(H2,12,13)
InChIKeyRYERFHYFWSVIFW-UHFFFAOYSA-N
XLogP2.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 43249930) is 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(CSc2cnc(N)s2)cs1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is RYERFHYFWSVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS3/c1-15(2)9(16)3-8-14-7(5-17-8)6-18-10-4-13-11(12)19-10/h4-5H,3,6H2,1-2H3,(H2,12,13).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 314.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43249930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).