2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine

C7H13N3S — CID 103391134

IUPAC2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1cncs1
InChIInChI=1S/C7H13N3S/c1-6(2-8)10-4-7-3-9-5-11-7/h3,5-6,10H,2,4,8H2,1H3
InChIKeyPJTPBAMOZYIFAX-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.58
Rot. Bonds4

About 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine

2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine (PubChem CID 103391134) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
PubChem CID103391134
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1cncs1
InChIInChI=1S/C7H13N3S/c1-6(2-8)10-4-7-3-9-5-11-7/h3,5-6,10H,2,4,8H2,1H3
InChIKeyPJTPBAMOZYIFAX-UHFFFAOYSA-N
XLogP0.58
TPSA50.94 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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
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N,2-Dimethyl-5-thiazolemethanamine
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1-(2-Methoxy-1,3-thiazol-5-yl)methanamine
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(2-Methyl-1,3-thiazol-5-yl)methanamine
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1-(1,3-Thiazol-5-yl)ethan-1-amine
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(5-Methyl-1,3-thiazol-2-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine (CID 103391134) is 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine is CC(CN)NCc1cncs1.
What is the InChIKey of 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The InChIKey is PJTPBAMOZYIFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(2-8)10-4-7-3-9-5-11-7/h3,5-6,10H,2,4,8H2,1H3.
What are the key properties of 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine has a molecular weight of 171.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103391134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).