tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate

C22H24N4O3S — CID 118013446

IUPACtert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C22H24N4O3S/c1-13-10-16(24-21(28)29-22(3,4)5)11-14(2)18(13)17-12-30-20(25-17)26-19(27)15-6-8-23-9-7-15/h6-12H,1-5H3,(H,24,28)(H,25,26,27)
InChIKeyAUGGZNQCTXIBSB-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.42
Rot. Bonds4

About tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate

tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate (PubChem CID 118013446) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
PubChem CID118013446
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Nametert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C22H24N4O3S/c1-13-10-16(24-21(28)29-22(3,4)5)11-14(2)18(13)17-12-30-20(25-17)26-19(27)15-6-8-23-9-7-15/h6-12H,1-5H3,(H,24,28)(H,25,26,27)
InChIKeyAUGGZNQCTXIBSB-UHFFFAOYSA-N
XLogP5.42
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]anilino]acetate
CID 118006052
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
N-[4-[4-[4-(2-methoxyethylamino)phenoxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 140940726
N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 129189982
tert-butyl N-[4-[[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 55549265
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate (CID 118013446) is tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate is Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate?
The InChIKey is AUGGZNQCTXIBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13-10-16(24-21(28)29-22(3,4)5)11-14(2)18(13)17-12-30-20(25-17)26-19(27)15-6-8-23-9-7-15/h6-12H,1-5H3,(H,24,28)(H,25,26,27).
What are the key properties of tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate?
tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate has a molecular weight of 424.53 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 118013446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).