tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate

C19H25N3O4S — CID 155271868

IUPACtert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
SMILESCOc1cccc(-c2ncc(NC(=O)C(C)CNC(=O)OC(C)(C)C)s2)c1
InChIInChI=1S/C19H25N3O4S/c1-12(10-21-18(24)26-19(2,3)4)16(23)22-15-11-20-17(27-15)13-7-6-8-14(9-13)25-5/h6-9,11-12H,10H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyIZNHIFVAHQTUMR-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate

tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate (PubChem CID 155271868) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
PubChem CID155271868
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Nametert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
SMILESCOc1cccc(-c2ncc(NC(=O)C(C)CNC(=O)OC(C)(C)C)s2)c1
InChIInChI=1S/C19H25N3O4S/c1-12(10-21-18(24)26-19(2,3)4)16(23)22-15-11-20-17(27-15)13-7-6-8-14(9-13)25-5/h6-9,11-12H,10H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyIZNHIFVAHQTUMR-UHFFFAOYSA-N
XLogP3.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate with MolForge

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Related Compounds

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N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
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(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate (CID 155271868) is tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate is COc1cccc(-c2ncc(NC(=O)C(C)CNC(=O)OC(C)(C)C)s2)c1.
What is the InChIKey of tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate?
The InChIKey is IZNHIFVAHQTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12(10-21-18(24)26-19(2,3)4)16(23)22-15-11-20-17(27-15)13-7-6-8-14(9-13)25-5/h6-9,11-12H,10H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate?
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate has a molecular weight of 391.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate is sourced from PubChem (CID 155271868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).