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

C22H30N4O3S — CID 26130593

IUPACtert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
SMILESCC1CCN(Cc2csc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C22H30N4O3S/c1-15-9-11-26(12-10-15)13-18-14-30-20(23-18)25-19(27)16-5-7-17(8-6-16)24-21(28)29-22(2,3)4/h5-8,14-15H,9-13H2,1-4H3,(H,24,28)(H,23,25,27)
InChIKeyCEDFOYHKXQJERT-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.97
Rot. Bonds5

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

tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate (PubChem CID 26130593) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
PubChem CID26130593
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Nametert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
SMILESCC1CCN(Cc2csc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C22H30N4O3S/c1-15-9-11-26(12-10-15)13-18-14-30-20(23-18)25-19(27)16-5-7-17(8-6-16)24-21(28)29-22(2,3)4/h5-8,14-15H,9-13H2,1-4H3,(H,24,28)(H,23,25,27)
InChIKeyCEDFOYHKXQJERT-UHFFFAOYSA-N
XLogP4.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134049693
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 30187243
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 30186524
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-pyrrol-1-ylbenzamide
CID 30186483
2-ethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18143742
4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3,4-dimethoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-[(E)-prop-1-enyl]benzamide
CID 24611027
2-benzyl-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 30185543
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate (CID 26130593) is tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate is CC1CCN(Cc2csc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)n2)CC1.
What is the InChIKey of tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate?
The InChIKey is CEDFOYHKXQJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-15-9-11-26(12-10-15)13-18-14-30-20(23-18)25-19(27)16-5-7-17(8-6-16)24-21(28)29-22(2,3)4/h5-8,14-15H,9-13H2,1-4H3,(H,24,28)(H,23,25,27).
What are the key properties of tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate has a molecular weight of 430.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 26130593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).