4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C27H26N6O2S2 — CID 71816197

IUPAC4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2cc(C(C)N3CCOCC3)sc2n1
InChIInChI=1S/C27H26N6O2S2/c1-17-24(37-26(29-17)19-6-5-9-28-14-19)25(34)30-21-8-4-3-7-20(21)22-15-33-16-23(36-27(33)31-22)18(2)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,34)
InChIKeyJBNWOPUAIMOMKF-UHFFFAOYSA-N
MW530.68 g/mol
LogP5.54
Rot. Bonds6

About 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71816197) has the molecular formula C27H26N6O2S2 and a molecular weight of 530.68 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71816197
Molecular FormulaC27H26N6O2S2
Molecular Weight530.68 g/mol
Exact Mass530.16
IUPAC Name4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2cc(C(C)N3CCOCC3)sc2n1
InChIInChI=1S/C27H26N6O2S2/c1-17-24(37-26(29-17)19-6-5-9-28-14-19)25(34)30-21-8-4-3-7-20(21)22-15-33-16-23(36-27(33)31-22)18(2)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,34)
InChIKeyJBNWOPUAIMOMKF-UHFFFAOYSA-N
XLogP5.54
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.68
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71816197) is 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2cc(C(C)N3CCOCC3)sc2n1.
What is the InChIKey of 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JBNWOPUAIMOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S2/c1-17-24(37-26(29-17)19-6-5-9-28-14-19)25(34)30-21-8-4-3-7-20(21)22-15-33-16-23(36-27(33)31-22)18(2)32-10-12-35-13-11-32/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,34).
What are the key properties of 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 530.68 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(1-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).