2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine

C12H15N3S — CID 57190890

IUPAC2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESNCC(CCc1nccs1)c1ccccn1
InChIInChI=1S/C12H15N3S/c13-9-10(11-3-1-2-6-14-11)4-5-12-15-7-8-16-12/h1-3,6-8,10H,4-5,9,13H2
InChIKeyORRNIWMVMQFZMM-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.21
Rot. Bonds5

About 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine

2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 57190890) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID57190890
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESNCC(CCc1nccs1)c1ccccn1
InChIInChI=1S/C12H15N3S/c13-9-10(11-3-1-2-6-14-11)4-5-12-15-7-8-16-12/h1-3,6-8,10H,4-5,9,13H2
InChIKeyORRNIWMVMQFZMM-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (CID 57190890) is 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is NCC(CCc1nccs1)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is ORRNIWMVMQFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-9-10(11-3-1-2-6-14-11)4-5-12-15-7-8-16-12/h1-3,6-8,10H,4-5,9,13H2.
What are the key properties of 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 233.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 57190890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).