2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide

C12H19ClN2OS — CID 43138035

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C12H19ClN2OS/c1-3-5-15(6-4-2)12(16)7-11-14-10(8-13)9-17-11/h9H,3-8H2,1-2H3
InChIKeyTUABMCZKFAJGSP-UHFFFAOYSA-N
MW274.82 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide (PubChem CID 43138035) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide
PubChem CID43138035
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C12H19ClN2OS/c1-3-5-15(6-4-2)12(16)7-11-14-10(8-13)9-17-11/h9H,3-8H2,1-2H3
InChIKeyTUABMCZKFAJGSP-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide (CID 43138035) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide?
The InChIKey is TUABMCZKFAJGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-3-5-15(6-4-2)12(16)7-11-14-10(8-13)9-17-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide has a molecular weight of 274.82 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 43138035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).