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

C10H12N6OS2 — CID 10402326

IUPACN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C10H12N6OS2/c1-5(17)13-2-8-14-6(3-18-8)7-4-19-10(15-7)16-9(11)12/h3-4H,2H2,1H3,(H,13,17)(H4,11,12,15,16)
InChIKeyKVUUNXITELGRDD-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.81
Rot. Bonds4

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

N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 10402326) has the molecular formula C10H12N6OS2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID10402326
Molecular FormulaC10H12N6OS2
Molecular Weight296.38 g/mol
Exact Mass296.05
IUPAC NameN-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2csc(N=C(N)N)n2)cs1
InChIInChI=1S/C10H12N6OS2/c1-5(17)13-2-8-14-6(3-18-8)7-4-19-10(15-7)16-9(11)12/h3-4H,2H2,1H3,(H,13,17)(H4,11,12,15,16)
InChIKeyKVUUNXITELGRDD-UHFFFAOYSA-N
XLogP0.81
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.81
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]methyl]acetamide?
The IUPAC name of N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide (CID 10402326) is N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NCc1nc(-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]methyl]acetamide?
The InChIKey is KVUUNXITELGRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS2/c1-5(17)13-2-8-14-6(3-18-8)7-4-19-10(15-7)16-9(11)12/h3-4H,2H2,1H3,(H,13,17)(H4,11,12,15,16).
What are the key properties of N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide?
N-[[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.81, 4 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]methyl]acetamide is sourced from PubChem (CID 10402326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).