4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C13H15N3S — CID 18526123

IUPAC4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C13H15N3S/c14-13-15-12(9-17-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H2,14,15)
InChIKeyLAAAYLCXBDADNM-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.99
Rot. Bonds2

About 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 18526123) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID18526123
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(N3CCCC3)cc2)cs1
InChIInChI=1S/C13H15N3S/c14-13-15-12(9-17-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H2,14,15)
InChIKeyLAAAYLCXBDADNM-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 18526123) is 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(N3CCCC3)cc2)cs1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LAAAYLCXBDADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13-15-12(9-17-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H2,14,15).
What are the key properties of 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18526123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).