(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C18H24N4O3S — CID 51936190

IUPAC(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2
InChIInChI=1S/C18H24N4O3S/c1-18-4-2-16(23)22(18)14(12-26-18)17(24)20-11-13-3-5-19-15(10-13)21-6-8-25-9-7-21/h3,5,10,14H,2,4,6-9,11-12H2,1H3,(H,20,24)/t14-,18+/m0/s1
InChIKeyGAJVZPOTPRPCMR-KBXCAEBGSA-N
MW376.48 g/mol
LogP0.99
Rot. Bonds4

About (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51936190) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51936190
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2
InChIInChI=1S/C18H24N4O3S/c1-18-4-2-16(23)22(18)14(12-26-18)17(24)20-11-13-3-5-19-15(10-13)21-6-8-25-9-7-21/h3,5,10,14H,2,4,6-9,11-12H2,1H3,(H,20,24)/t14-,18+/m0/s1
InChIKeyGAJVZPOTPRPCMR-KBXCAEBGSA-N
XLogP0.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

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Related Compounds

7a-methyl-5-oxo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 47035862
7a-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51083374
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
(3R,7aR)-7a-methyl-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 124733942
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
7a-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43024937
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 94066498
7a-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 47110684
(3R,7aR)-7a-methyl-5-oxo-N-(2-phenylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 26865707
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056

Frequently Asked Questions

What is the IUPAC name of (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51936190) is (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccnc(N3CCOCC3)c1)CS2.
What is the InChIKey of (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GAJVZPOTPRPCMR-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18-4-2-16(23)22(18)14(12-26-18)17(24)20-11-13-3-5-19-15(10-13)21-6-8-25-9-7-21/h3,5,10,14H,2,4,6-9,11-12H2,1H3,(H,20,24)/t14-,18+/m0/s1.
What are the key properties of (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
(3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aR)-7a-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51936190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).