4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

C15H18N4OS — CID 91661825

IUPAC4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1C1COCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H18N4OS/c1-17-4-2-3-13(17)14-11-20-7-5-18(14)9-12-10-19-6-8-21-15(19)16-12/h2-4,6,8,10,14H,5,7,9,11H2,1H3
InChIKeyVZXJRCRAPWFKDT-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.31
Rot. Bonds3

About 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (PubChem CID 91661825) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
PubChem CID91661825
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1C1COCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C15H18N4OS/c1-17-4-2-3-13(17)14-11-20-7-5-18(14)9-12-10-19-6-8-21-15(19)16-12/h2-4,6,8,10,14H,5,7,9,11H2,1H3
InChIKeyVZXJRCRAPWFKDT-UHFFFAOYSA-N
XLogP2.31
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631304
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 86803812
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
3-(1-methylpyrrol-2-yl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 86803681
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631897
4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 86803831
N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
CID 86803826
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
CID 129381721
(3S)-3-[2-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]ethyl]oxolan-2-one
CID 129430025
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The IUPAC name of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine (CID 91661825) is 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine.
What is the SMILES notation for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The canonical SMILES for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is Cn1cccc1C1COCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
The InChIKey is VZXJRCRAPWFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-17-4-2-3-13(17)14-11-20-7-5-18(14)9-12-10-19-6-8-21-15(19)16-12/h2-4,6,8,10,14H,5,7,9,11H2,1H3.
What are the key properties of 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine?
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine has a molecular weight of 302.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)morpholine is sourced from PubChem (CID 91661825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).