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

C20H28N4O2S — CID 131654206

IUPACN-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-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)NCCN(C)C)C3)c1
InChIInChI=1S/C20H28N4O2S/c1-13(2)24-17(18(25)21-9-10-23(3)4)12-16-20(24)27-19(22-16)14-7-6-8-15(11-14)26-5/h6-8,11,13,17H,9-10,12H2,1-5H3,(H,21,25)
InChIKeyMQPZZFFLOOXGST-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.64
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 131654206) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID131654206
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-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)NCCN(C)C)C3)c1
InChIInChI=1S/C20H28N4O2S/c1-13(2)24-17(18(25)21-9-10-23(3)4)12-16-20(24)27-19(22-16)14-7-6-8-15(11-14)26-5/h6-8,11,13,17H,9-10,12H2,1-5H3,(H,21,25)
InChIKeyMQPZZFFLOOXGST-UHFFFAOYSA-N
XLogP2.64
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[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)-2-(3-methoxyphenyl)-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 131652583
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203035
4-benzyl-N-[2-(dimethylamino)ethyl]-1-(3-methoxybenzoyl)piperazine-2-carboxamide
CID 24730622
N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 118609153
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
2-[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 110244347
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (CID 131654206) is N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-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)NCCN(C)C)C3)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is MQPZZFFLOOXGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-13(2)24-17(18(25)21-9-10-23(3)4)12-16-20(24)27-19(22-16)14-7-6-8-15(11-14)26-5/h6-8,11,13,17H,9-10,12H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 131654206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).