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

C12H18ClN3O2S — CID 102736651

IUPACN-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8(18)14-6-9-2-4-16(5-3-9)12-15-11(13)10(7-17)19-12/h9,17H,2-7H2,1H3,(H,14,18)
InChIKeyCJACJPTZFHPEDD-UHFFFAOYSA-N
MW303.82 g/mol
LogP1.64
Rot. Bonds4

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

N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736651) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
PubChem CID102736651
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC NameN-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2nc(Cl)c(CO)s2)CC1
InChIInChI=1S/C12H18ClN3O2S/c1-8(18)14-6-9-2-4-16(5-3-9)12-15-11(13)10(7-17)19-12/h9,17H,2-7H2,1H3,(H,14,18)
InChIKeyCJACJPTZFHPEDD-UHFFFAOYSA-N
XLogP1.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide (CID 102736651) is N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2nc(Cl)c(CO)s2)CC1.
What is the InChIKey of N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is CJACJPTZFHPEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-8(18)14-6-9-2-4-16(5-3-9)12-15-11(13)10(7-17)19-12/h9,17H,2-7H2,1H3,(H,14,18).
What are the key properties of N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 303.82 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).