methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate

C18H21ClN2O3S — CID 112831071

IUPACmethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)C
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)21(10-18(23)24-3)17(22)9-15-11-25-16(20-15)8-13-5-4-6-14(19)7-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyUXZFZTRNCUIHNJ-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.34
Rot. Bonds7

About methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate (PubChem CID 112831071) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
PubChem CID112831071
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Namemethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)C
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)21(10-18(23)24-3)17(22)9-15-11-25-16(20-15)8-13-5-4-6-14(19)7-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyUXZFZTRNCUIHNJ-UHFFFAOYSA-N
XLogP3.34
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate with MolForge

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Related Compounds

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 55857637
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
CID 55668565
methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78884785
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78885091
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
methyl 2-[propan-2-yl-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 78878085
N-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-3-methoxybenzamide
CID 112822169
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 55670377
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 60766581
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate (CID 112831071) is methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)C.
What is the InChIKey of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
The InChIKey is UXZFZTRNCUIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12(2)21(10-18(23)24-3)17(22)9-15-11-25-16(20-15)8-13-5-4-6-14(19)7-13/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate has a molecular weight of 380.90 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 112831071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).