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

C10H13N5OS3 — CID 43247566

IUPAC2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSc2nnc(N)s2)cs1
InChIInChI=1S/C10H13N5OS3/c1-15(2)8(16)3-7-12-6(4-17-7)5-18-10-14-13-9(11)19-10/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyQMEQROFPDHZSLZ-UHFFFAOYSA-N
MW315.45 g/mol
LogP1.50
Rot. Bonds5

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

2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 43247566) has the molecular formula C10H13N5OS3 and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID43247566
Molecular FormulaC10H13N5OS3
Molecular Weight315.45 g/mol
Exact Mass315.03
IUPAC Name2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc(CSc2nnc(N)s2)cs1
InChIInChI=1S/C10H13N5OS3/c1-15(2)8(16)3-7-12-6(4-17-7)5-18-10-14-13-9(11)19-10/h4H,3,5H2,1-2H3,(H2,11,13)
InChIKeyQMEQROFPDHZSLZ-UHFFFAOYSA-N
XLogP1.50
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 43247566) is 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc(CSc2nnc(N)s2)cs1.
What is the InChIKey of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is QMEQROFPDHZSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS3/c1-15(2)8(16)3-7-12-6(4-17-7)5-18-10-14-13-9(11)19-10/h4H,3,5H2,1-2H3,(H2,11,13).
What are the key properties of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 315.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43247566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).