tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate

C17H23N3O2S — CID 126719795

IUPACtert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
SMILESCN(C)c1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)19-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyJHHPHKAWSFTWRK-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.90
Rot. Bonds4

About tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate

tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 126719795) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID126719795
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
SMILESCN(C)c1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)19-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21)
InChIKeyJHHPHKAWSFTWRK-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-[4-(4-aminobutoxy)phenyl]-1,3-thiazol-5-yl]methyl]carbamate
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tert-butyl N-[[2-[4-[4-(diethylamino)butyl]phenyl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719487
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
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tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
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tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
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tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetic acid
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tert-butyl N-[[4-[5-[[(6-oxo-5H-benzo[b][1,4]benzoxazepine-3-carbonyl)amino]methyl]-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 126719717
benzyl (3S)-3-[[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-2-yl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 139394257
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate (CID 126719795) is tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate is CN(C)c1ccc(-c2ncc(CNC(=O)OC(C)(C)C)s2)cc1.
What is the InChIKey of tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is JHHPHKAWSFTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)19-11-14-10-18-15(23-14)12-6-8-13(9-7-12)20(4)5/h6-10H,11H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 126719795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).