tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate

C20H33N5O4S — CID 58893632

IUPACtert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)NC(C)(C)C)sc2C1
InChIInChI=1S/C20H33N5O4S/c1-19(2,3)24-15(26)13(10-21-18(28)29-20(4,5)6)22-16(27)17-23-12-8-9-25(7)11-14(12)30-17/h13H,8-11H2,1-7H3,(H,21,28)(H,22,27)(H,24,26)
InChIKeyUCMJXHWTCJNUGV-UHFFFAOYSA-N
MW439.58 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate

tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate (PubChem CID 58893632) has the molecular formula C20H33N5O4S and a molecular weight of 439.58 g/mol. Its IUPAC name is tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
PubChem CID58893632
Molecular FormulaC20H33N5O4S
Molecular Weight439.58 g/mol
Exact Mass439.23
IUPAC Nametert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)NC(C)(C)C)sc2C1
InChIInChI=1S/C20H33N5O4S/c1-19(2,3)24-15(26)13(10-21-18(28)29-20(4,5)6)22-16(27)17-23-12-8-9-25(7)11-14(12)30-17/h13H,8-11H2,1-7H3,(H,21,28)(H,22,27)(H,24,26)
InChIKeyUCMJXHWTCJNUGV-UHFFFAOYSA-N
XLogP1.67
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate (CID 58893632) is tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate is CN1CCc2nc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)NC(C)(C)C)sc2C1.
What is the InChIKey of tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
The InChIKey is UCMJXHWTCJNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4S/c1-19(2,3)24-15(26)13(10-21-18(28)29-20(4,5)6)22-16(27)17-23-12-8-9-25(7)11-14(12)30-17/h13H,8-11H2,1-7H3,(H,21,28)(H,22,27)(H,24,26).
What are the key properties of tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate has a molecular weight of 439.58 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 58893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).