6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H29N5OS — CID 36828004

IUPAC6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC[C@@](C)(CNc1nn2cc(C(C)(C)C)nc2s1)N1CCOCC1
InChIInChI=1S/C17H29N5OS/c1-6-17(5,21-7-9-23-10-8-21)12-18-14-20-22-11-13(16(2,3)4)19-15(22)24-14/h11H,6-10,12H2,1-5H3,(H,18,20)/t17-/m0/s1
InChIKeyNRTCLKUNXBDZSC-KRWDZBQOSA-N
MW351.52 g/mol
LogP3.00
Rot. Bonds5

About 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 36828004) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID36828004
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC[C@@](C)(CNc1nn2cc(C(C)(C)C)nc2s1)N1CCOCC1
InChIInChI=1S/C17H29N5OS/c1-6-17(5,21-7-9-23-10-8-21)12-18-14-20-22-11-13(16(2,3)4)19-15(22)24-14/h11H,6-10,12H2,1-5H3,(H,18,20)/t17-/m0/s1
InChIKeyNRTCLKUNXBDZSC-KRWDZBQOSA-N
XLogP3.00
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 36828004) is 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC[C@@](C)(CNc1nn2cc(C(C)(C)C)nc2s1)N1CCOCC1.
What is the InChIKey of 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is NRTCLKUNXBDZSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-6-17(5,21-7-9-23-10-8-21)12-18-14-20-22-11-13(16(2,3)4)19-15(22)24-14/h11H,6-10,12H2,1-5H3,(H,18,20)/t17-/m0/s1.
What are the key properties of 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 351.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 36828004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).