N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

C19H21N5O2S — CID 134530958

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccco3)ccc2N)sc1N1CCNCC1
InChIInChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)
InChIKeyWLASFOJDSIHLCI-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.96
Rot. Bonds4

About N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (PubChem CID 134530958) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
PubChem CID134530958
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccco3)ccc2N)sc1N1CCNCC1
InChIInChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25)
InChIKeyWLASFOJDSIHLCI-UHFFFAOYSA-N
XLogP2.96
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (CID 134530958) is N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)Nc2cc(-c3ccco3)ccc2N)sc1N1CCNCC1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WLASFOJDSIHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-19(24-8-6-21-7-9-24)27-18(22-12)17(25)23-15-11-13(4-5-14(15)20)16-3-2-10-26-16/h2-5,10-11,21H,6-9,20H2,1H3,(H,23,25).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134530958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).