(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C14H17ClN4OS — CID 95905580

IUPAC(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESC[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)S1
InChIInChI=1S/C14H17ClN4OS/c1-10-8-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-12(15)16-9-11/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1
InChIKeyUBJBSFAVJHMLJO-SNVBAGLBSA-N
MW324.84 g/mol
LogP1.98
Rot. Bonds1

About (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone

(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 95905580) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID95905580
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESC[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)S1
InChIInChI=1S/C14H17ClN4OS/c1-10-8-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-12(15)16-9-11/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1
InChIKeyUBJBSFAVJHMLJO-SNVBAGLBSA-N
XLogP1.98
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 95905580) is (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone is C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)S1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is UBJBSFAVJHMLJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-10-8-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-12(15)16-9-11/h2-3,9-10H,4-8H2,1H3/t10-/m1/s1.
What are the key properties of (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 324.84 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 95905580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).