2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C10H9Cl2N3S — CID 175863191

IUPAC2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESClC1=CC=C(Cl)N(c2nc3c(s2)CCC3)N1
InChIInChI=1S/C10H9Cl2N3S/c11-8-4-5-9(12)15(14-8)10-13-6-2-1-3-7(6)16-10/h4-5,14H,1-3H2
InChIKeyYNHNMBNRDNPEKW-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.12
Rot. Bonds1

About 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 175863191) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID175863191
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESClC1=CC=C(Cl)N(c2nc3c(s2)CCC3)N1
InChIInChI=1S/C10H9Cl2N3S/c11-8-4-5-9(12)15(14-8)10-13-6-2-1-3-7(6)16-10/h4-5,14H,1-3H2
InChIKeyYNHNMBNRDNPEKW-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 113404599
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207453
4-[4-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 165433099
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinan-2-one
CID 115371059
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433794
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 112597902
methyl 5-amino-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazole-4-carboxylate
CID 103545102
5,5-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-diazinane-2,4,6-trione
CID 115947511
(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61333069
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 175863191) is 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is ClC1=CC=C(Cl)N(c2nc3c(s2)CCC3)N1.
What is the InChIKey of 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is YNHNMBNRDNPEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c11-8-4-5-9(12)15(14-8)10-13-6-2-1-3-7(6)16-10/h4-5,14H,1-3H2.
What are the key properties of 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 274.18 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-1H-pyridazin-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 175863191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).