4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine

C10H16ClN3S — CID 83152672

IUPAC4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
SMILESCC(CNc1nc(Cl)cs1)N1CCCC1
InChIInChI=1S/C10H16ClN3S/c1-8(14-4-2-3-5-14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeySZUWHQZUEKNZAL-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine

4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine (PubChem CID 83152672) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
PubChem CID83152672
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
SMILESCC(CNc1nc(Cl)cs1)N1CCCC1
InChIInChI=1S/C10H16ClN3S/c1-8(14-4-2-3-5-14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeySZUWHQZUEKNZAL-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine (CID 83152672) is 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine is CC(CNc1nc(Cl)cs1)N1CCCC1.
What is the InChIKey of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine?
The InChIKey is SZUWHQZUEKNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-8(14-4-2-3-5-14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine?
4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).