N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C18H21N5OS — CID 49088305

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C18H21N5OS/c1-13-16(25-18(20-13)14-7-5-4-6-8-14)17(24)21-15-11-19-23(12-15)10-9-22(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyZSDNVUMSKITAQM-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.13
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 49088305) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID49088305
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C18H21N5OS/c1-13-16(25-18(20-13)14-7-5-4-6-8-14)17(24)21-15-11-19-23(12-15)10-9-22(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyZSDNVUMSKITAQM-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 49088305) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cnn(CCN(C)C)c1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZSDNVUMSKITAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-16(25-18(20-13)14-7-5-4-6-8-14)17(24)21-15-11-19-23(12-15)10-9-22(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49088305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).