4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide

C22H28N4O2S — CID 134075252

IUPAC4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1Cc2nc(-c3ccccc3)sc2N1CC1CC1
InChIInChI=1S/C22H28N4O2S/c27-20(23-8-9-25-10-12-28-13-11-25)19-14-18-22(26(19)15-16-6-7-16)29-21(24-18)17-4-2-1-3-5-17/h1-5,16,19H,6-15H2,(H,23,27)
InChIKeyAPBAVOOMQXZZBH-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.40
Rot. Bonds7

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

4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 134075252) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID134075252
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC Name4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)C1Cc2nc(-c3ccccc3)sc2N1CC1CC1
InChIInChI=1S/C22H28N4O2S/c27-20(23-8-9-25-10-12-28-13-11-25)19-14-18-22(26(19)15-16-6-7-16)29-21(24-18)17-4-2-1-3-5-17/h1-5,16,19H,6-15H2,(H,23,27)
InChIKeyAPBAVOOMQXZZBH-UHFFFAOYSA-N
XLogP2.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.40
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
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084270
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53103646
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578
(3S)-2-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95152790
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200718
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53103665
2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919767

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide (CID 134075252) is 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide is O=C(NCCN1CCOCC1)C1Cc2nc(-c3ccccc3)sc2N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is APBAVOOMQXZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c27-20(23-8-9-25-10-12-28-13-11-25)19-14-18-22(26(19)15-16-6-7-16)29-21(24-18)17-4-2-1-3-5-17/h1-5,16,19H,6-15H2,(H,23,27).
What are the key properties of 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N-(2-morpholin-4-ylethyl)-2-phenyl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 134075252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).