N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C18H23N5O2S — CID 47082097

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1csc(-c2cnn(C)c2)n1)c1ccco1
InChIInChI=1S/C18H23N5O2S/c1-4-23(5-2)15(16-7-6-8-25-16)10-19-17(24)14-12-26-18(21-14)13-9-20-22(3)11-13/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,19,24)
InChIKeyIWBMFRWLYAWYHP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.95
Rot. Bonds8

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47082097) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID47082097
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1csc(-c2cnn(C)c2)n1)c1ccco1
InChIInChI=1S/C18H23N5O2S/c1-4-23(5-2)15(16-7-6-8-25-16)10-19-17(24)14-12-26-18(21-14)13-9-20-22(3)11-13/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,19,24)
InChIKeyIWBMFRWLYAWYHP-UHFFFAOYSA-N
XLogP2.95
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 86911956
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
N'-benzyl-2-(1-methylpyrazol-4-yl)-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 55786551
(E)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 51095691
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 39038795

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 47082097) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCN(CC)C(CNC(=O)c1csc(-c2cnn(C)c2)n1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IWBMFRWLYAWYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-4-23(5-2)15(16-7-6-8-25-16)10-19-17(24)14-12-26-18(21-14)13-9-20-22(3)11-13/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47082097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).