[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine

C17H29N3S — CID 154930205

IUPAC[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine
SMILESC/C=C(\C=C/NN)C(C)(CC)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H29N3S/c1-7-13(9-10-20-18)17(6,8-2)11-14-12-19-15(21-14)16(3,4)5/h7,9-10,12,20H,8,11,18H2,1-6H3/b10-9-,13-7+
InChIKeyZEKMJCICLOWWIA-QLNUPNCESA-N
MW307.51 g/mol
LogP4.32
Rot. Bonds6

About [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine

[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine (PubChem CID 154930205) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine.

Molecular Properties

Compound Name[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine
PubChem CID154930205
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine
SMILESC/C=C(\C=C/NN)C(C)(CC)Cc1cnc(C(C)(C)C)s1
InChIInChI=1S/C17H29N3S/c1-7-13(9-10-20-18)17(6,8-2)11-14-12-19-15(21-14)16(3,4)5/h7,9-10,12,20H,8,11,18H2,1-6H3/b10-9-,13-7+
InChIKeyZEKMJCICLOWWIA-QLNUPNCESA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E,4Z)-3-ethylidene-2-methylhepta-1,4,6-trienyl]-4-(2-methyl-1,3-thiazol-5-yl)butan-2-imine
CID 142069998
N-[[5-[2-(3-methylcyclohexa-1,5-dien-1-yl)propyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 167018959
2-Ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 63019632
2-Methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 63019807
2-Methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]but-3-en-1-amine
CID 102640294

Frequently Asked Questions

What is the IUPAC name of [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine?
The IUPAC name of [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine (CID 154930205) is [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine.
What is the SMILES notation for [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine?
The canonical SMILES for [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine is C/C=C(\C=C/NN)C(C)(CC)Cc1cnc(C(C)(C)C)s1.
What is the InChIKey of [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine?
The InChIKey is ZEKMJCICLOWWIA-QLNUPNCESA-N. The full InChI is InChI=1S/C17H29N3S/c1-7-13(9-10-20-18)17(6,8-2)11-14-12-19-15(21-14)16(3,4)5/h7,9-10,12,20H,8,11,18H2,1-6H3/b10-9-,13-7+.
What are the key properties of [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine?
[(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine has a molecular weight of 307.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3E)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-ethylidene-4-methylhex-1-enyl]hydrazine is sourced from PubChem (CID 154930205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).