(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide

C14H13N7S — CID 172980350

IUPAC(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C14H13N7S/c15-7-11(13(16)17)20-19-10-3-1-9(2-4-10)12-8-22-14-18-5-6-21(12)14/h1-4,8,19H,5-6H2,(H3,16,17)/b20-11+
InChIKeyYNNPBVBOUIIGEE-RGVLZGJSSA-N
MW311.37 g/mol
LogP1.63
Rot. Bonds4

About (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172980350) has the molecular formula C14H13N7S and a molecular weight of 311.37 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172980350
Molecular FormulaC14H13N7S
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(C2=CSC3=NCCN23)cc1
InChIInChI=1S/C14H13N7S/c15-7-11(13(16)17)20-19-10-3-1-9(2-4-10)12-8-22-14-18-5-6-21(12)14/h1-4,8,19H,5-6H2,(H3,16,17)/b20-11+
InChIKeyYNNPBVBOUIIGEE-RGVLZGJSSA-N
XLogP1.63
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide (CID 172980350) is (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(C2=CSC3=NCCN23)cc1.
What is the InChIKey of (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is YNNPBVBOUIIGEE-RGVLZGJSSA-N. The full InChI is InChI=1S/C14H13N7S/c15-7-11(13(16)17)20-19-10-3-1-9(2-4-10)12-8-22-14-18-5-6-21(12)14/h1-4,8,19H,5-6H2,(H3,16,17)/b20-11+.
What are the key properties of (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 311.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172980350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).