2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid

C19H35N3O4SSi — CID 175572805

IUPAC2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCCNc1nc(C(=O)O)cs1)CN1CCOCC1
InChIInChI=1S/C19H35N3O4SSi/c1-19(2,3)28(4,5)26-15(13-22-9-11-25-12-10-22)7-6-8-20-18-21-16(14-27-18)17(23)24/h14-15H,6-13H2,1-5H3,(H,20,21)(H,23,24)
InChIKeyPKISYCQEXQOYLJ-UHFFFAOYSA-N
MW429.66 g/mol
LogP3.76
Rot. Bonds10

About 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 175572805) has the molecular formula C19H35N3O4SSi and a molecular weight of 429.66 g/mol. Its IUPAC name is 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID175572805
Molecular FormulaC19H35N3O4SSi
Molecular Weight429.66 g/mol
Exact Mass429.21
IUPAC Name2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCCNc1nc(C(=O)O)cs1)CN1CCOCC1
InChIInChI=1S/C19H35N3O4SSi/c1-19(2,3)28(4,5)26-15(13-22-9-11-25-12-10-22)7-6-8-20-18-21-16(14-27-18)17(23)24/h14-15H,6-13H2,1-5H3,(H,20,21)(H,23,24)
InChIKeyPKISYCQEXQOYLJ-UHFFFAOYSA-N
XLogP3.76
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.66
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylic acid
CID 106006405
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 42813439
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 142104621
2-[(3-hydroxycyclobutyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 130925805

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid (CID 175572805) is 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid is CC(C)(C)[Si](C)(C)OC(CCCNc1nc(C(=O)O)cs1)CN1CCOCC1.
What is the InChIKey of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PKISYCQEXQOYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4SSi/c1-19(2,3)28(4,5)26-15(13-22-9-11-25-12-10-22)7-6-8-20-18-21-16(14-27-18)17(23)24/h14-15H,6-13H2,1-5H3,(H,20,21)(H,23,24).
What are the key properties of 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 429.66 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 175572805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).