N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C11H18N4OS — CID 104977309

IUPACN-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN[C@@H](C)C2)cs1
InChIInChI=1S/C11H18N4OS/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)/t8-/m0/s1
InChIKeyRDQNCQDZNHMNPI-QMMMGPOBSA-N
MW254.36 g/mol
LogP0.90
Rot. Bonds3

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

N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 104977309) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID104977309
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN[C@@H](C)C2)cs1
InChIInChI=1S/C11H18N4OS/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)/t8-/m0/s1
InChIKeyRDQNCQDZNHMNPI-QMMMGPOBSA-N
XLogP0.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 60979385
N-[4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 114961490
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95978180

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 104977309) is N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCN[C@@H](C)C2)cs1.
What is the InChIKey of N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RDQNCQDZNHMNPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-5-15(4-3-12-8)6-10-7-17-11(14-10)13-9(2)16/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)/t8-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 254.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 104977309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).