3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide

C11H10Cl2N4OS — CID 114038514

IUPAC3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)nnc1Cl)c1nccs1
InChIInChI=1S/C11H10Cl2N4OS/c1-2-7(11-14-3-4-19-11)15-10(18)6-5-8(12)16-17-9(6)13/h3-5,7H,2H2,1H3,(H,15,18)
InChIKeyDHDFIJLOTXTJSC-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.12
Rot. Bonds4

About 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide

3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide (PubChem CID 114038514) has the molecular formula C11H10Cl2N4OS and a molecular weight of 317.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
PubChem CID114038514
Molecular FormulaC11H10Cl2N4OS
Molecular Weight317.20 g/mol
Exact Mass316.00
IUPAC Name3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
SMILESCCC(NC(=O)c1cc(Cl)nnc1Cl)c1nccs1
InChIInChI=1S/C11H10Cl2N4OS/c1-2-7(11-14-3-4-19-11)15-10(18)6-5-8(12)16-17-9(6)13/h3-5,7H,2H2,1H3,(H,15,18)
InChIKeyDHDFIJLOTXTJSC-UHFFFAOYSA-N
XLogP3.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
2-(2-aminoethoxy)-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 118783713
2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125169864
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide (CID 114038514) is 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide is CCC(NC(=O)c1cc(Cl)nnc1Cl)c1nccs1.
What is the InChIKey of 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide?
The InChIKey is DHDFIJLOTXTJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4OS/c1-2-7(11-14-3-4-19-11)15-10(18)6-5-8(12)16-17-9(6)13/h3-5,7H,2H2,1H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide is sourced from PubChem (CID 114038514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).