(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

C19H11N5O3S — CID 18824001

IUPAC(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cn[nH]c1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C19H11N5O3S/c20-9-13(19-22-16(11-28-19)17-5-2-6-27-17)7-14-10-21-23-18(14)12-3-1-4-15(8-12)24(25)26/h1-8,10-11H,(H,21,23)/b13-7-
InChIKeyBUUGANQFNXMSTC-QPEQYQDCSA-N
MW389.40 g/mol
LogP4.77
Rot. Bonds5

About (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile

(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile (PubChem CID 18824001) has the molecular formula C19H11N5O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
PubChem CID18824001
Molecular FormulaC19H11N5O3S
Molecular Weight389.40 g/mol
Exact Mass389.06
IUPAC Name(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1cn[nH]c1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccco2)cs1
InChIInChI=1S/C19H11N5O3S/c20-9-13(19-22-16(11-28-19)17-5-2-6-27-17)7-14-10-21-23-18(14)12-3-1-4-15(8-12)24(25)26/h1-8,10-11H,(H,21,23)/b13-7-
InChIKeyBUUGANQFNXMSTC-QPEQYQDCSA-N
XLogP4.77
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
CID 18807285
3-(2-bromophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3898172
(Z)-3-(2,4-dichlorophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7373529
(E)-2-(3,4-dimethoxyphenyl)-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
CID 18807161
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 6196785
(Z)-3-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7121309
3-(3-methoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2855900
(E)-3-(2-chlorophenyl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864266
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
CID 4704660
3-(2-ethoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 5085046
(E)-3-(3-bromo-4-hydroxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 135470826
3-(3-nitroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3659604

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile (CID 18824001) is (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile is N#C/C(=C/c1cn[nH]c1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccco2)cs1.
What is the InChIKey of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile?
The InChIKey is BUUGANQFNXMSTC-QPEQYQDCSA-N. The full InChI is InChI=1S/C19H11N5O3S/c20-9-13(19-22-16(11-28-19)17-5-2-6-27-17)7-14-10-21-23-18(14)12-3-1-4-15(8-12)24(25)26/h1-8,10-11H,(H,21,23)/b13-7-.
What are the key properties of (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile?
(Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile has a molecular weight of 389.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile is sourced from PubChem (CID 18824001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).