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

C16H22N4OS2 — CID 47046086

IUPACN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nc(CN2CC(C)CC(C)C2)cs1
InChIInChI=1S/C16H22N4OS2/c1-10-4-11(2)6-20(5-10)7-13-8-22-16(18-13)19-15(21)14-12(3)17-9-23-14/h8-11H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyPUDZUVPXNDLSKU-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.64
Rot. Bonds4

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

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47046086) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47046086
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1nc(CN2CC(C)CC(C)C2)cs1
InChIInChI=1S/C16H22N4OS2/c1-10-4-11(2)6-20(5-10)7-13-8-22-16(18-13)19-15(21)14-12(3)17-9-23-14/h8-11H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyPUDZUVPXNDLSKU-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-Piperidin-1-ylmethyl-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44397571
(2-Amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72918627
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 86776557
(4-Methyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47284206
2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164639669
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560322
2-(3-isobutyl-2-oxoimidazolidin-1-yl)-4-methyl-N-((6-methylpyrazin-2-yl)methyl)thiazole-5-carboxamide
CID 57919790
2-[3-(2-cyclopropylethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 57919956
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-((5-methylpyrazin-2-yl)methyl)thiazole-5-carboxamide
CID 59481225
N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491298
N-[5-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500127
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3685941

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47046086) is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1nc(CN2CC(C)CC(C)C2)cs1.
What is the InChIKey of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PUDZUVPXNDLSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-10-4-11(2)6-20(5-10)7-13-8-22-16(18-13)19-15(21)14-12(3)17-9-23-14/h8-11H,4-7H2,1-3H3,(H,18,19,21).
What are the key properties of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47046086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).