(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

C26H27N7OS — CID 24535310

IUPAC(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H27N7OS/c1-19-17-21(10-11-23(19)32-14-12-31(2)13-15-32)27-26(34)24(18-22-9-6-16-35-22)33-25(28-29-30-33)20-7-4-3-5-8-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,34)/b24-18-
InChIKeyKFNBNWJTCKITBX-MOHJPFBDSA-N
MW485.62 g/mol
LogP4.10
Rot. Bonds6

About (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide

(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 24535310) has the molecular formula C26H27N7OS and a molecular weight of 485.62 g/mol. Its IUPAC name is (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID24535310
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC Name(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1cc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H27N7OS/c1-19-17-21(10-11-23(19)32-14-12-31(2)13-15-32)27-26(34)24(18-22-9-6-16-35-22)33-25(28-29-30-33)20-7-4-3-5-8-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,34)/b24-18-
InChIKeyKFNBNWJTCKITBX-MOHJPFBDSA-N
XLogP4.10
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 8712824
(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 7962571
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 134016368
phenacyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 42982299
N-[2-chloro-5-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134016335
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 18280518
(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 27050693
(2-fluorophenyl)methyl (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 7810228
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18227034
(4-octanoylphenyl) 2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate
CID 4845890

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide (CID 24535310) is (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is Cc1cc(NC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)ccc1N1CCN(C)CC1.
What is the InChIKey of (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KFNBNWJTCKITBX-MOHJPFBDSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-19-17-21(10-11-23(19)32-14-12-31(2)13-15-32)27-26(34)24(18-22-9-6-16-35-22)33-25(28-29-30-33)20-7-4-3-5-8-20/h3-11,16-18H,12-15H2,1-2H3,(H,27,34)/b24-18-.
What are the key properties of (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide?
(Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 485.62 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 24535310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).