(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

C15H19ClN4S — CID 63368236

IUPAC(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3/t11-/m1/s1
InChIKeyMWHRSPDPFAICMQ-LLVKDONJSA-N
MW322.87 g/mol
LogP3.14
Rot. Bonds3

About (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 63368236) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
PubChem CID63368236
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3/t11-/m1/s1
InChIKeyMWHRSPDPFAICMQ-LLVKDONJSA-N
XLogP3.14
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (CID 63368236) is (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCN(c3nccs3)CC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is MWHRSPDPFAICMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-11(17)12-2-3-14(13(16)10-12)19-5-7-20(8-6-19)15-18-4-9-21-15/h2-4,9-11H,5-8,17H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
(1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 322.87 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 63368236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).