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

C15H21ClN2OS — CID 166424106

IUPAC2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(CC(C2CC2)C2CC2)C(=O)CCl)sn1
InChIInChI=1S/C15H21ClN2OS/c1-10-6-13(20-17-10)8-18(15(19)7-16)9-14(11-2-3-11)12-4-5-12/h6,11-12,14H,2-5,7-9H2,1H3
InChIKeyZYWOMVNBZXLJCO-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.46
Rot. Bonds7

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

2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide (PubChem CID 166424106) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
PubChem CID166424106
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(CC(C2CC2)C2CC2)C(=O)CCl)sn1
InChIInChI=1S/C15H21ClN2OS/c1-10-6-13(20-17-10)8-18(15(19)7-16)9-14(11-2-3-11)12-4-5-12/h6,11-12,14H,2-5,7-9H2,1H3
InChIKeyZYWOMVNBZXLJCO-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.46
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-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide (CID 166424106) is 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide is Cc1cc(CN(CC(C2CC2)C2CC2)C(=O)CCl)sn1.
What is the InChIKey of 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide?
The InChIKey is ZYWOMVNBZXLJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-10-6-13(20-17-10)8-18(15(19)7-16)9-14(11-2-3-11)12-4-5-12/h6,11-12,14H,2-5,7-9H2,1H3.
What are the key properties of 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide?
2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide has a molecular weight of 312.87 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166424106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).