tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate

C17H23N3O2S — CID 103936100

IUPACtert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
SMILESCc1nc(C(C)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-11(15-10-23-12(2)19-15)18-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h6-11,18H,1-5H3,(H,20,21)
InChIKeyPMQFKPMHMVRBCA-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.97
Rot. Bonds4

About tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate

tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate (PubChem CID 103936100) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
PubChem CID103936100
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
SMILESCc1nc(C(C)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-11(15-10-23-12(2)19-15)18-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h6-11,18H,1-5H3,(H,20,21)
InChIKeyPMQFKPMHMVRBCA-UHFFFAOYSA-N
XLogP4.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
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N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
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tert-butyl N-[(1S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
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tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
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tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
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N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
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N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate (CID 103936100) is tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate is Cc1nc(C(C)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cs1.
What is the InChIKey of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate?
The InChIKey is PMQFKPMHMVRBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(15-10-23-12(2)19-15)18-13-6-8-14(9-7-13)20-16(21)22-17(3,4)5/h6-11,18H,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate?
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 103936100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).