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

C10H14ClN3O2S — CID 80687978

IUPAC2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClN3O2S/c1-6(2)3-14(4-8(12)16)10-13-9(11)7(5-15)17-10/h5-6H,3-4H2,1-2H3,(H2,12,16)
InChIKeyDNZIDMTUSODCTH-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.56
Rot. Bonds6

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

2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 80687978) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide
PubChem CID80687978
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClN3O2S/c1-6(2)3-14(4-8(12)16)10-13-9(11)7(5-15)17-10/h5-6H,3-4H2,1-2H3,(H2,12,16)
InChIKeyDNZIDMTUSODCTH-UHFFFAOYSA-N
XLogP1.56
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide (CID 80687978) is 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is DNZIDMTUSODCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-6(2)3-14(4-8(12)16)10-13-9(11)7(5-15)17-10/h5-6H,3-4H2,1-2H3,(H2,12,16).
What are the key properties of 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide?
2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 275.76 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-formyl-1,3-thiazol-2-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80687978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).