1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine

C8H13N3S — CID 54532473

IUPAC1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine
SMILESC=C(NC)N(C)Cc1cscn1
InChIInChI=1S/C8H13N3S/c1-7(9-2)11(3)4-8-5-12-6-10-8/h5-6,9H,1,4H2,2-3H3
InChIKeyYXMGGYUAFQYUKQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds4

About 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine

1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine (PubChem CID 54532473) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine
PubChem CID54532473
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine
SMILESC=C(NC)N(C)Cc1cscn1
InChIInChI=1S/C8H13N3S/c1-7(9-2)11(3)4-8-5-12-6-10-8/h5-6,9H,1,4H2,2-3H3
InChIKeyYXMGGYUAFQYUKQ-UHFFFAOYSA-N
XLogP1.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine (CID 54532473) is 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine is C=C(NC)N(C)Cc1cscn1.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine?
The InChIKey is YXMGGYUAFQYUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-7(9-2)11(3)4-8-5-12-6-10-8/h5-6,9H,1,4H2,2-3H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine?
1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine has a molecular weight of 183.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N'-(1,3-thiazol-4-ylmethyl)ethene-1,1-diamine is sourced from PubChem (CID 54532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).