N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide

C14H20N6OS — CID 118785583

IUPACN-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
SMILESCCC(C(=O)Nc1nccs1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C14H20N6OS/c1-2-11(13(21)18-14-15-5-8-22-14)20-6-3-10(4-7-20)12-16-9-17-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,18,21)(H,16,17,19)
InChIKeyMPLGKCHWTBEYRO-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.86
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide

N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide (PubChem CID 118785583) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
PubChem CID118785583
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
SMILESCCC(C(=O)Nc1nccs1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C14H20N6OS/c1-2-11(13(21)18-14-15-5-8-22-14)20-6-3-10(4-7-20)12-16-9-17-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,18,21)(H,16,17,19)
InChIKeyMPLGKCHWTBEYRO-UHFFFAOYSA-N
XLogP1.86
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-thiazol-2-yl)-3-[4-(1H-1,2,4-triazol-5-yl)cyclohexyl]urea
CID 154871139
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 41394791
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710
2-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 137338508
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 98791286
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
CID 124752366
(2S)-3-cyclohexyl-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 141042919

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide (CID 118785583) is N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide is CCC(C(=O)Nc1nccs1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide?
The InChIKey is MPLGKCHWTBEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-2-11(13(21)18-14-15-5-8-22-14)20-6-3-10(4-7-20)12-16-9-17-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,18,21)(H,16,17,19).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide?
N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide has a molecular weight of 320.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 118785583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).