N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

C19H18N4O2S — CID 119074347

IUPACN-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(Cc3nccs3)C3CC3)cc2)nn1
InChIInChI=1S/C19H18N4O2S/c1-25-17-9-8-16(21-22-17)13-2-4-14(5-3-13)19(24)23(15-6-7-15)12-18-20-10-11-26-18/h2-5,8-11,15H,6-7,12H2,1H3
InChIKeyWXBYLZQZBUOGBC-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.41
Rot. Bonds6

About N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide

N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 119074347) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID119074347
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(Cc3nccs3)C3CC3)cc2)nn1
InChIInChI=1S/C19H18N4O2S/c1-25-17-9-8-16(21-22-17)13-2-4-14(5-3-13)19(24)23(15-6-7-15)12-18-20-10-11-26-18/h2-5,8-11,15H,6-7,12H2,1H3
InChIKeyWXBYLZQZBUOGBC-UHFFFAOYSA-N
XLogP3.41
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 135106664
4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 122559046
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50976083
N-cyclopropyl-4-[6-(dimethylamino)pyridazin-3-yl]-N-(thiophen-3-ylmethyl)benzamide
CID 119060388
N-cyclopropyl-2-ethyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 110715827
2-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110715860
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 110715819
5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
CID 110742645
ethyl 2-[[cyclopropyl-(4-phenylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3933971
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 119059811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 119074347) is N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is COc1ccc(-c2ccc(C(=O)N(Cc3nccs3)C3CC3)cc2)nn1.
What is the InChIKey of N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is WXBYLZQZBUOGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-25-17-9-8-16(21-22-17)13-2-4-14(5-3-13)19(24)23(15-6-7-15)12-18-20-10-11-26-18/h2-5,8-11,15H,6-7,12H2,1H3.
What are the key properties of N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 119074347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).