N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine

C10H17N3S — CID 143504672

IUPACN,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESC=CCc1csc(N(C)CCNC)n1
InChIInChI=1S/C10H17N3S/c1-4-5-9-8-14-10(12-9)13(3)7-6-11-2/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCRSUKEAKUZRDCL-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.53
Rot. Bonds6

About N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 143504672) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID143504672
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESC=CCc1csc(N(C)CCNC)n1
InChIInChI=1S/C10H17N3S/c1-4-5-9-8-14-10(12-9)13(3)7-6-11-2/h4,8,11H,1,5-7H2,2-3H3
InChIKeyCRSUKEAKUZRDCL-UHFFFAOYSA-N
XLogP1.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 143504672) is N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine is C=CCc1csc(N(C)CCNC)n1.
What is the InChIKey of N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is CRSUKEAKUZRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-5-9-8-14-10(12-9)13(3)7-6-11-2/h4,8,11H,1,5-7H2,2-3H3.
What are the key properties of N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 211.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 143504672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).