2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine

C7H13N3S — CID 130505496

IUPAC2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCNC(C)CNc1nccs1
InChIInChI=1S/C7H13N3S/c1-6(8-2)5-10-7-9-3-4-11-7/h3-4,6,8H,5H2,1-2H3,(H,9,10)
InChIKeyKSPKUSOEZSTTTC-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.16
Rot. Bonds4

About 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine

2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine (PubChem CID 130505496) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
PubChem CID130505496
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCNC(C)CNc1nccs1
InChIInChI=1S/C7H13N3S/c1-6(8-2)5-10-7-9-3-4-11-7/h3-4,6,8H,5H2,1-2H3,(H,9,10)
InChIKeyKSPKUSOEZSTTTC-UHFFFAOYSA-N
XLogP1.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-(2-cyclopropylpropyl)-1,3-thiazol-2-amine
CID 115591460
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol
CID 59073559
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 65033764

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine (CID 130505496) is 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine is CNC(C)CNc1nccs1.
What is the InChIKey of 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine?
The InChIKey is KSPKUSOEZSTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(8-2)5-10-7-9-3-4-11-7/h3-4,6,8H,5H2,1-2H3,(H,9,10).
What are the key properties of 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine?
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine has a molecular weight of 171.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 130505496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).