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N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C17H23N5OS — CID 126918069

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H23N5OS/c1-11-15(24-10-18-11)16(23)21(5)12-8-22(9-12)14-7-6-13(19-20-14)17(2,3)4/h6-7,10,12H,8-9H2,1-5H3
InChIKeyXCRGSHFSGLOVQC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 126918069) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID126918069
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H23N5OS/c1-11-15(24-10-18-11)16(23)21(5)12-8-22(9-12)14-7-6-13(19-20-14)17(2,3)4/h6-7,10,12H,8-9H2,1-5H3
InChIKeyXCRGSHFSGLOVQC-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 126918069) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is XCRGSHFSGLOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-15(24-10-18-11)16(23)21(5)12-8-22(9-12)14-7-6-13(19-20-14)17(2,3)4/h6-7,10,12H,8-9H2,1-5H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126918069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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