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

C14H17ClN4OS — CID 71998346

IUPAC(2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC1CN=C(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)S1
InChIInChI=1S/C14H17ClN4OS/c1-10-9-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-16-12(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeySVQSIKFZOSTIIC-UHFFFAOYSA-N
MW324.84 g/mol
LogP1.98
Rot. Bonds1

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

(2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71998346) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID71998346
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC1CN=C(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)S1
InChIInChI=1S/C14H17ClN4OS/c1-10-9-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-16-12(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeySVQSIKFZOSTIIC-UHFFFAOYSA-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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Related Compounds

(6-chloro-3-pyridinyl)-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905580
(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905591
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 84584772
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 95778296
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
(5-ethylfuran-2-yl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71998330
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 71998346) is (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is CC1CN=C(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)S1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is SVQSIKFZOSTIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-10-9-17-14(21-10)19-6-4-18(5-7-19)13(20)11-2-3-16-12(15)8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[4-(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 (2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71998346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).