N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C9H10N6OS2 — CID 13100989

IUPACN-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C9H10N6OS2/c1-4(16)12-8-13-5(2-17-8)6-3-18-9(14-6)15-7(10)11/h2-3H,1H3,(H,12,13,16)(H4,10,11,14,15)
InChIKeyOQIARQGOMRMWFN-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.13
Rot. Bonds3

About N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 13100989) has the molecular formula C9H10N6OS2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID13100989
Molecular FormulaC9H10N6OS2
Molecular Weight282.35 g/mol
Exact Mass282.04
IUPAC NameN-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C9H10N6OS2/c1-4(16)12-8-13-5(2-17-8)6-3-18-9(14-6)15-7(10)11/h2-3H,1H3,(H,12,13,16)(H4,10,11,14,15)
InChIKeyOQIARQGOMRMWFN-UHFFFAOYSA-N
XLogP1.13
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 13100989) is N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2csc(N=C(N)N)n2)cs1.
What is the InChIKey of N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OQIARQGOMRMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS2/c1-4(16)12-8-13-5(2-17-8)6-3-18-9(14-6)15-7(10)11/h2-3H,1H3,(H,12,13,16)(H4,10,11,14,15).
What are the key properties of N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 282.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 13100989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).