2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine

C8H15N3S — CID 65168515

IUPAC2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCc1nc(NC(C)CN)sc1C
InChIInChI=1S/C8H15N3S/c1-5(4-9)10-8-11-6(2)7(3)12-8/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeyAWWKNPCCAQWASR-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.52
Rot. Bonds3

About 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine

2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine (PubChem CID 65168515) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
PubChem CID65168515
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCc1nc(NC(C)CN)sc1C
InChIInChI=1S/C8H15N3S/c1-5(4-9)10-8-11-6(2)7(3)12-8/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeyAWWKNPCCAQWASR-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine (CID 65168515) is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine is Cc1nc(NC(C)CN)sc1C.
What is the InChIKey of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine?
The InChIKey is AWWKNPCCAQWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(4-9)10-8-11-6(2)7(3)12-8/h5H,4,9H2,1-3H3,(H,10,11).
What are the key properties of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine?
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 65168515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).