N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide

C16H24N6OS — CID 166181261

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCC(Cn3ccnn3)CC2)sc1C
InChIInChI=1S/C16H24N6OS/c1-11-13(3)24-16(18-11)19-15(23)12(2)21-7-4-14(5-8-21)10-22-9-6-17-20-22/h6,9,12,14H,4-5,7-8,10H2,1-3H3,(H,18,19,23)
InChIKeyNONSKECRGLHYCH-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.09
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 166181261) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID166181261
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCc1nc(NC(=O)C(C)N2CCC(Cn3ccnn3)CC2)sc1C
InChIInChI=1S/C16H24N6OS/c1-11-13(3)24-16(18-11)19-15(23)12(2)21-7-4-14(5-8-21)10-22-9-6-17-20-22/h6,9,12,14H,4-5,7-8,10H2,1-3H3,(H,18,19,23)
InChIKeyNONSKECRGLHYCH-UHFFFAOYSA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 45810891
N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491326
1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 47084679
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-imidazol-1-ylpropanamide
CID 47205564
1-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 52491448
1-[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 52491450
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(2-methylimidazol-1-yl)piperidin-1-yl]propanamide
CID 53596393
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 53609860
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284860
1-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 72125171
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 84562849
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 84567123

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 166181261) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide is Cc1nc(NC(=O)C(C)N2CCC(Cn3ccnn3)CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is NONSKECRGLHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11-13(3)24-16(18-11)19-15(23)12(2)21-7-4-14(5-8-21)10-22-9-6-17-20-22/h6,9,12,14H,4-5,7-8,10H2,1-3H3,(H,18,19,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 348.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 166181261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).