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

C15H23N3O2S — CID 111442466

IUPACN-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCCC(CO)C2)cs1)C1CC1
InChIInChI=1S/C15H23N3O2S/c1-11(20)18(14-4-5-14)15-16-13(10-21-15)8-17-6-2-3-12(7-17)9-19/h10,12,14,19H,2-9H2,1H3
InChIKeyQFJHHLBZXWWNSL-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.86
Rot. Bonds5

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

N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111442466) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111442466
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCCC(CO)C2)cs1)C1CC1
InChIInChI=1S/C15H23N3O2S/c1-11(20)18(14-4-5-14)15-16-13(10-21-15)8-17-6-2-3-12(7-17)9-19/h10,12,14,19H,2-9H2,1H3
InChIKeyQFJHHLBZXWWNSL-UHFFFAOYSA-N
XLogP1.86
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95769661
N-cyclopropyl-N-[4-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75514605
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60638725
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 126793125
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 111758207
N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97004619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 111442466) is N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN2CCCC(CO)C2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QFJHHLBZXWWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(20)18(14-4-5-14)15-16-13(10-21-15)8-17-6-2-3-12(7-17)9-19/h10,12,14,19H,2-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111442466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).