2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

C22H30N4O2S — CID 138688252

IUPAC2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(N(C4CC4)C4CC4)sc3c2)CC1
InChIInChI=1S/C22H30N4O2S/c1-22(2,28)14-3-5-15(6-4-14)24-20(27)13-11-18-19(23-12-13)25-21(29-18)26(16-7-8-16)17-9-10-17/h11-12,14-17,28H,3-10H2,1-2H3,(H,24,27)
InChIKeyGCJKGOMIMQBVCV-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.88
Rot. Bonds6

About 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 138688252) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
PubChem CID138688252
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(N(C4CC4)C4CC4)sc3c2)CC1
InChIInChI=1S/C22H30N4O2S/c1-22(2,28)14-3-5-15(6-4-14)24-20(27)13-11-18-19(23-12-13)25-21(29-18)26(16-7-8-16)17-9-10-17/h11-12,14-17,28H,3-10H2,1-2H3,(H,24,27)
InChIKeyGCJKGOMIMQBVCV-UHFFFAOYSA-N
XLogP3.88
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (CID 138688252) is 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3nc(N(C4CC4)C4CC4)sc3c2)CC1.
What is the InChIKey of 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GCJKGOMIMQBVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-22(2,28)14-3-5-15(6-4-14)24-20(27)13-11-18-19(23-12-13)25-21(29-18)26(16-7-8-16)17-9-10-17/h11-12,14-17,28H,3-10H2,1-2H3,(H,24,27).
What are the key properties of 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 138688252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).