N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

C21H27N7S2 — CID 151617655

IUPACN-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCc1nn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)nc2s1
InChIInChI=1S/C21H27N7S2/c1-12-25-28-11-16(24-19(28)29-12)14-7-17-15(10-22-14)23-18(30-17)27(6)13-8-20(2,3)26-21(4,5)9-13/h7,10-11,13,26H,8-9H2,1-6H3
InChIKeyQNVXTHCMTPBMMS-UHFFFAOYSA-N
MW441.63 g/mol
LogP4.52
Rot. Bonds3

About N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (PubChem CID 151617655) has the molecular formula C21H27N7S2 and a molecular weight of 441.63 g/mol. Its IUPAC name is N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
PubChem CID151617655
Molecular FormulaC21H27N7S2
Molecular Weight441.63 g/mol
Exact Mass441.18
IUPAC NameN-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
SMILESCc1nn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)nc2s1
InChIInChI=1S/C21H27N7S2/c1-12-25-28-11-16(24-19(28)29-12)14-7-17-15(10-22-14)23-18(30-17)27(6)13-8-20(2,3)26-21(4,5)9-13/h7,10-11,13,26H,8-9H2,1-6H3
InChIKeyQNVXTHCMTPBMMS-UHFFFAOYSA-N
XLogP4.52
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine (CID 151617655) is N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is Cc1nn2cc(-c3cc4sc(N(C)C5CC(C)(C)NC(C)(C)C5)nc4cn3)nc2s1.
What is the InChIKey of N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
The InChIKey is QNVXTHCMTPBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7S2/c1-12-25-28-11-16(24-19(28)29-12)14-7-17-15(10-22-14)23-18(30-17)27(6)13-8-20(2,3)26-21(4,5)9-13/h7,10-11,13,26H,8-9H2,1-6H3.
What are the key properties of N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine?
N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine has a molecular weight of 441.63 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 151617655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).