tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate

C16H21N5O3S — CID 129052398

IUPACtert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2cccnn2)cs1
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)24-15(23)17-8-6-13-20-12(10-25-13)14(22)18-9-11-5-4-7-19-21-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyZUEXQUNVJBZSKS-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.93
Rot. Bonds6

About tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate (PubChem CID 129052398) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
PubChem CID129052398
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Nametert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2cccnn2)cs1
InChIInChI=1S/C16H21N5O3S/c1-16(2,3)24-15(23)17-8-6-13-20-12(10-25-13)14(22)18-9-11-5-4-7-19-21-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,17,23)(H,18,22)
InChIKeyZUEXQUNVJBZSKS-UHFFFAOYSA-N
XLogP1.93
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[(2-methoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 67304205
tert-butyl N-[2-[4-[(2-hydroxycyclohexyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 91652392
tert-butyl N-[2-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052793
tert-butyl N-[3-methyl-2-[(pyridazin-3-ylmethylamino)methyl]butyl]carbamate
CID 107442905
tert-butyl N-[2-[4-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 24895318
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
tert-butyl N-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]propyl]carbamate
CID 167230577
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
methyl 2-(pyridazin-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 106898099
6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897654
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate (CID 129052398) is tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2cccnn2)cs1.
What is the InChIKey of tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate?
The InChIKey is ZUEXQUNVJBZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-16(2,3)24-15(23)17-8-6-13-20-12(10-25-13)14(22)18-9-11-5-4-7-19-21-11/h4-5,7,10H,6,8-9H2,1-3H3,(H,17,23)(H,18,22).
What are the key properties of tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate has a molecular weight of 363.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(pyridazin-3-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 129052398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).