4,4-dimethyl-1,3-thiazolidine-2,2-diamine

C5H13N3S — CID 150101692

IUPAC4,4-dimethyl-1,3-thiazolidine-2,2-diamine
SMILESCC1(C)CSC(N)(N)N1
InChIInChI=1S/C5H13N3S/c1-4(2)3-9-5(6,7)8-4/h8H,3,6-7H2,1-2H3
InChIKeyDVJTUBLCUBNSQV-UHFFFAOYSA-N
MW147.25 g/mol
LogP-0.37
Rot. Bonds

About 4,4-dimethyl-1,3-thiazolidine-2,2-diamine

4,4-dimethyl-1,3-thiazolidine-2,2-diamine (PubChem CID 150101692) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-thiazolidine-2,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1,3-thiazolidine-2,2-diamine
PubChem CID150101692
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name4,4-dimethyl-1,3-thiazolidine-2,2-diamine
SMILESCC1(C)CSC(N)(N)N1
InChIInChI=1S/C5H13N3S/c1-4(2)3-9-5(6,7)8-4/h8H,3,6-7H2,1-2H3
InChIKeyDVJTUBLCUBNSQV-UHFFFAOYSA-N
XLogP-0.37
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-thiazolidine-2,2-diamine?
The IUPAC name of 4,4-dimethyl-1,3-thiazolidine-2,2-diamine (CID 150101692) is 4,4-dimethyl-1,3-thiazolidine-2,2-diamine.
What is the SMILES notation for 4,4-dimethyl-1,3-thiazolidine-2,2-diamine?
The canonical SMILES for 4,4-dimethyl-1,3-thiazolidine-2,2-diamine is CC1(C)CSC(N)(N)N1.
What is the InChIKey of 4,4-dimethyl-1,3-thiazolidine-2,2-diamine?
The InChIKey is DVJTUBLCUBNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4(2)3-9-5(6,7)8-4/h8H,3,6-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3-thiazolidine-2,2-diamine?
4,4-dimethyl-1,3-thiazolidine-2,2-diamine has a molecular weight of 147.25 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-thiazolidine-2,2-diamine is sourced from PubChem (CID 150101692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).