2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide

C10H16ClN3O2S — CID 80692698

IUPAC2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H16ClN3O2S/c1-2-3-4-14(5-8(12)16)10-13-9(11)7(6-15)17-10/h15H,2-6H2,1H3,(H2,12,16)
InChIKeyXVZXDKBSISPTDJ-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.38
Rot. Bonds7

About 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide

2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide (PubChem CID 80692698) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
PubChem CID80692698
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(Cl)c(CO)s1
InChIInChI=1S/C10H16ClN3O2S/c1-2-3-4-14(5-8(12)16)10-13-9(11)7(6-15)17-10/h15H,2-6H2,1H3,(H2,12,16)
InChIKeyXVZXDKBSISPTDJ-UHFFFAOYSA-N
XLogP1.38
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide (CID 80692698) is 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide is CCCCN(CC(N)=O)c1nc(Cl)c(CO)s1.
What is the InChIKey of 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide?
The InChIKey is XVZXDKBSISPTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-2-3-4-14(5-8(12)16)10-13-9(11)7(6-15)17-10/h15H,2-6H2,1H3,(H2,12,16).
What are the key properties of 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide?
2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide has a molecular weight of 277.78 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]acetamide is sourced from PubChem (CID 80692698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).