N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H22N4OS2 — CID 139491298

IUPACN-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](Cc3nc(C)cs3)C2)s1
InChIInChI=1S/C16H22N4OS2/c1-11-10-22-15(18-11)6-13-4-3-5-20(8-13)9-14-7-17-16(23-14)19-12(2)21/h7,10,13H,3-6,8-9H2,1-2H3,(H,17,19,21)/t13-/m0/s1
InChIKeyBEIAUFRCMQORMK-ZDUSSCGKSA-N
MW350.51 g/mol
LogP3.32
Rot. Bonds5

About N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491298) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491298
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC NameN-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@@H](Cc3nc(C)cs3)C2)s1
InChIInChI=1S/C16H22N4OS2/c1-11-10-22-15(18-11)6-13-4-3-5-20(8-13)9-14-7-17-16(23-14)19-12(2)21/h7,10,13H,3-6,8-9H2,1-2H3,(H,17,19,21)/t13-/m0/s1
InChIKeyBEIAUFRCMQORMK-ZDUSSCGKSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47046086
N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 95828620
N-[4-[[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97879576
2,4-dimethyl-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164639669
N-[5-[[3-[(5-fluoro-5-methyl-4H-pyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 169893368
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508954
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508955
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3870626
1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 11154799
N-(5-isopropyl-1,3-thiazol-2-yl)-2-(2-{[2-(4-methyl-1-piperazinyl)ethyl]amino}-1,3-thiazol-4-yl)acetamide
CID 11246825
2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 11338756
N-(5-isopropyl-1,3-thiazol-2-yl)-2-(2-{methyl[2-(4-methyl-1-piperazinyl)ethyl]amino}-1,3-thiazol-4-yl)acetamide
CID 11452964

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491298) is N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@@H](Cc3nc(C)cs3)C2)s1.
What is the InChIKey of N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BEIAUFRCMQORMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-11-10-22-15(18-11)6-13-4-3-5-20(8-13)9-14-7-17-16(23-14)19-12(2)21/h7,10,13H,3-6,8-9H2,1-2H3,(H,17,19,21)/t13-/m0/s1.
What are the key properties of N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).