N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C14H24N4OS — CID 80552624

IUPACN-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCNCC1CCN(Cc2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-15-8-12-4-6-18(7-5-12)9-13-10-20-14(17-13)16-11(2)19/h10,12,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyDXPKKFJYQCPMTR-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.92
Rot. Bonds6

About N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 80552624) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID80552624
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCNCC1CCN(Cc2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-15-8-12-4-6-18(7-5-12)9-13-10-20-14(17-13)16-11(2)19/h10,12,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyDXPKKFJYQCPMTR-UHFFFAOYSA-N
XLogP1.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
N-[4-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86773551
N-[4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 114961490
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 80552624) is N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCNCC1CCN(Cc2csc(NC(C)=O)n2)CC1.
What is the InChIKey of N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DXPKKFJYQCPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-15-8-12-4-6-18(7-5-12)9-13-10-20-14(17-13)16-11(2)19/h10,12,15H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 80552624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).