(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine

C9H11N3S — CID 123202912

IUPAC(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine
SMILES[C-]#[N+]/C(=C\N(C)C)c1nc(C)cs1
InChIInChI=1S/C9H11N3S/c1-7-6-13-9(11-7)8(10-2)5-12(3)4/h5-6H,1,3-4H3/b8-5-
InChIKeyRFABYEMLHLYQMY-YVMONPNESA-N
MW193.27 g/mol
LogP2.23
Rot. Bonds2

About (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine

(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine (PubChem CID 123202912) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine
PubChem CID123202912
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine
SMILES[C-]#[N+]/C(=C\N(C)C)c1nc(C)cs1
InChIInChI=1S/C9H11N3S/c1-7-6-13-9(11-7)8(10-2)5-12(3)4/h5-6H,1,3-4H3/b8-5-
InChIKeyRFABYEMLHLYQMY-YVMONPNESA-N
XLogP2.23
TPSA20.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine?
The IUPAC name of (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine (CID 123202912) is (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine.
What is the SMILES notation for (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine?
The canonical SMILES for (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine is [C-]#[N+]/C(=C\N(C)C)c1nc(C)cs1.
What is the InChIKey of (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine?
The InChIKey is RFABYEMLHLYQMY-YVMONPNESA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-6-13-9(11-7)8(10-2)5-12(3)4/h5-6H,1,3-4H3/b8-5-.
What are the key properties of (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine?
(Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine has a molecular weight of 193.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-isocyano-N,N-dimethyl-2-(4-methyl-1,3-thiazol-2-yl)ethenamine is sourced from PubChem (CID 123202912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).