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

C20H21N3O2S — CID 168872990

IUPACphenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)Oc2ccccc2)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C20H21N3O2S/c1-13-17(14-10-11-21-16(12-14)20(2,3)4)26-18(22-13)23-19(24)25-15-8-6-5-7-9-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyLTIBVAWVKGOTAK-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.42
Rot. Bonds3

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

phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 168872990) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID168872990
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Namephenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCc1nc(NC(=O)Oc2ccccc2)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C20H21N3O2S/c1-13-17(14-10-11-21-16(12-14)20(2,3)4)26-18(22-13)23-19(24)25-15-8-6-5-7-9-15/h5-12H,1-4H3,(H,22,23,24)
InChIKeyLTIBVAWVKGOTAK-UHFFFAOYSA-N
XLogP5.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 68663438
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
CID 169322759
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
tert-butyl 3-[(2S)-1-[[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl]pyrrolidin-2-yl]-3-(18O)oxopropanoate
CID 163662099
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
2-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 74836055
(2S,4R)-4-benzamido-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 168872870
(2S,4R)-4-[(3-methoxyphenyl)sulfonylamino]-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 168872925
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 146697209

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate (CID 168872990) is phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate is Cc1nc(NC(=O)Oc2ccccc2)sc1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is LTIBVAWVKGOTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-17(14-10-11-21-16(12-14)20(2,3)4)26-18(22-13)23-19(24)25-15-8-6-5-7-9-15/h5-12H,1-4H3,(H,22,23,24).
What are the key properties of phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 367.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 168872990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).