methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate

C19H24N4O5S — CID 59369731

IUPACmethyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1
InChIInChI=1S/C19H24N4O5S/c1-27-17(25)7-3-2-4-9-21-16(24)10-15-13-29-18(22-15)23-19(26)28-12-14-6-5-8-20-11-14/h5-6,8,11,13H,2-4,7,9-10,12H2,1H3,(H,21,24)(H,22,23,26)
InChIKeyVUXPSDDIDGMUTP-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.68
Rot. Bonds11

About methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate

methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate (PubChem CID 59369731) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
PubChem CID59369731
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Namemethyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1
InChIInChI=1S/C19H24N4O5S/c1-27-17(25)7-3-2-4-9-21-16(24)10-15-13-29-18(22-15)23-19(26)28-12-14-6-5-8-20-11-14/h5-6,8,11,13H,2-4,7,9-10,12H2,1H3,(H,21,24)(H,22,23,26)
InChIKeyVUXPSDDIDGMUTP-UHFFFAOYSA-N
XLogP2.68
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62688977
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568275
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032605
methyl N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883817
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate (CID 59369731) is methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)Cc1csc(NC(=O)OCc2cccnc2)n1.
What is the InChIKey of methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate?
The InChIKey is VUXPSDDIDGMUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-27-17(25)7-3-2-4-9-21-16(24)10-15-13-29-18(22-15)23-19(26)28-12-14-6-5-8-20-11-14/h5-6,8,11,13H,2-4,7,9-10,12H2,1H3,(H,21,24)(H,22,23,26).
What are the key properties of methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate?
methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate has a molecular weight of 420.49 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[2-(pyridin-3-ylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]hexanoate is sourced from PubChem (CID 59369731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).