2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide

C22H30N4O3S — CID 134080055

IUPAC2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)NCCN2CCOCC2)C3)c1
InChIInChI=1S/C22H30N4O3S/c1-15(2)26-19(20(27)23-7-8-25-9-11-29-12-10-25)14-18-22(26)30-21(24-18)16-5-4-6-17(13-16)28-3/h4-6,13,15,19H,7-12,14H2,1-3H3,(H,23,27)
InChIKeyHGCFVZDQDXFRKC-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.41
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide

2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 134080055) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID134080055
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)NCCN2CCOCC2)C3)c1
InChIInChI=1S/C22H30N4O3S/c1-15(2)26-19(20(27)23-7-8-25-9-11-29-12-10-25)14-18-22(26)30-21(24-18)16-5-4-6-17(13-16)28-3/h4-6,13,15,19H,7-12,14H2,1-3H3,(H,23,27)
InChIKeyHGCFVZDQDXFRKC-UHFFFAOYSA-N
XLogP2.41
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
CID 131654206
[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 134075272
4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
CID 134075252
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
[4-(cyclopropylmethyl)-2-(3-methoxyphenyl)-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 131652583
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 3958388
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (CID 134080055) is 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide is COc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)NCCN2CCOCC2)C3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is HGCFVZDQDXFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-15(2)26-19(20(27)23-7-8-25-9-11-29-12-10-25)14-18-22(26)30-21(24-18)16-5-4-6-17(13-16)28-3/h4-6,13,15,19H,7-12,14H2,1-3H3,(H,23,27).
What are the key properties of 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 134080055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).