N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C17H25N5OS — CID 75451531

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C17H25N5OS/c1-12-14(24-16(20-12)13-9-19-22(4)10-13)15(23)18-11-17(2)5-7-21(3)8-6-17/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyBXXCHDFKUCAKRW-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.31
Rot. Bonds4

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75451531) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID75451531
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2)sc1C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C17H25N5OS/c1-12-14(24-16(20-12)13-9-19-22(4)10-13)15(23)18-11-17(2)5-7-21(3)8-6-17/h9-10H,5-8,11H2,1-4H3,(H,18,23)
InChIKeyBXXCHDFKUCAKRW-UHFFFAOYSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 119500921
N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626848
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119665731
N-[2-(ethylaminomethyl)phenyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119439221
6-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175351
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119653466

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 75451531) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BXXCHDFKUCAKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-14(24-16(20-12)13-9-19-22(4)10-13)15(23)18-11-17(2)5-7-21(3)8-6-17/h9-10H,5-8,11H2,1-4H3,(H,18,23).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75451531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).