[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine

C16H21N3OS — CID 105214147

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
SMILESCc1csc(CC(CCc2ccc3c(c2)CCO3)NN)n1
InChIInChI=1S/C16H21N3OS/c1-11-10-21-16(18-11)9-14(19-17)4-2-12-3-5-15-13(8-12)6-7-20-15/h3,5,8,10,14,19H,2,4,6-7,9,17H2,1H3
InChIKeyKCNXWKBYQIZCMS-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.39
Rot. Bonds6

About [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine

[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine (PubChem CID 105214147) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
PubChem CID105214147
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
SMILESCc1csc(CC(CCc2ccc3c(c2)CCO3)NN)n1
InChIInChI=1S/C16H21N3OS/c1-11-10-21-16(18-11)9-14(19-17)4-2-12-3-5-15-13(8-12)6-7-20-15/h3,5,8,10,14,19H,2,4,6-7,9,17H2,1H3
InChIKeyKCNXWKBYQIZCMS-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238411
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214201
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912981
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105198529
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 111562880

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine (CID 105214147) is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine is Cc1csc(CC(CCc2ccc3c(c2)CCO3)NN)n1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The InChIKey is KCNXWKBYQIZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-10-21-16(18-11)9-14(19-17)4-2-12-3-5-15-13(8-12)6-7-20-15/h3,5,8,10,14,19H,2,4,6-7,9,17H2,1H3.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine has a molecular weight of 303.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105214147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).