N-propyl-1,3-thiazol-2-amine

C6H10N2S — CID 12707503

IUPACN-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nccs1
InChIInChI=1S/C6H10N2S/c1-2-3-7-6-8-4-5-9-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMQQNXHJDLKZGTQ-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.97
Rot. Bonds3

About N-propyl-1,3-thiazol-2-amine

N-propyl-1,3-thiazol-2-amine (PubChem CID 12707503) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-1,3-thiazol-2-amine
PubChem CID12707503
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC NameN-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nccs1
InChIInChI=1S/C6H10N2S/c1-2-3-7-6-8-4-5-9-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyMQQNXHJDLKZGTQ-UHFFFAOYSA-N
XLogP1.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-1,3-thiazol-2-amine (CID 12707503) is N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-1,3-thiazol-2-amine is CCCNc1nccs1.
What is the InChIKey of N-propyl-1,3-thiazol-2-amine?
The InChIKey is MQQNXHJDLKZGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-2-3-7-6-8-4-5-9-6/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of N-propyl-1,3-thiazol-2-amine?
N-propyl-1,3-thiazol-2-amine has a molecular weight of 142.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 12707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).