tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

C18H23N3O4S — CID 54010314

IUPACtert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESCOc1cccc(-c2scnc2C(=O)NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H23N3O4S/c1-18(2,3)25-17(23)20-9-8-19-16(22)14-15(26-11-21-14)12-6-5-7-13(10-12)24-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyKRWLEMACNLRQHB-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.07
Rot. Bonds6

About tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (PubChem CID 54010314) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
PubChem CID54010314
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nametert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESCOc1cccc(-c2scnc2C(=O)NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H23N3O4S/c1-18(2,3)25-17(23)20-9-8-19-16(22)14-15(26-11-21-14)12-6-5-7-13(10-12)24-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyKRWLEMACNLRQHB-UHFFFAOYSA-N
XLogP3.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 54091391
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CID 19768518
tert-butyl N-[3-[[N-[2-[(3-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885774
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768609
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-acetyl-5-(3-methoxyphenyl)-3-pyridinyl]carbamate;ethane
CID 176580229
4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
CID 66520687
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (CID 54010314) is tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is COc1cccc(-c2scnc2C(=O)NCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The InChIKey is KRWLEMACNLRQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-18(2,3)25-17(23)20-9-8-19-16(22)14-15(26-11-21-14)12-6-5-7-13(10-12)24-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate has a molecular weight of 377.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 54010314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).