(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide

C20H24N4O3S — CID 95850182

IUPAC(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)N4CCOCC4)n3)c2c1
InChIInChI=1S/C20H24N4O3S/c1-12-18(15-10-14(26-3)4-5-16(15)21-12)17-11-28-20(22-17)23-19(25)13(2)24-6-8-27-9-7-24/h4-5,10-11,13,21H,6-9H2,1-3H3,(H,22,23,25)/t13-/m1/s1
InChIKeyKIMHXTBTUVAICU-CYBMUJFWSA-N
MW400.50 g/mol
LogP3.27
Rot. Bonds5

About (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide

(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide (PubChem CID 95850182) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide
PubChem CID95850182
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)N4CCOCC4)n3)c2c1
InChIInChI=1S/C20H24N4O3S/c1-12-18(15-10-14(26-3)4-5-16(15)21-12)17-11-28-20(22-17)23-19(25)13(2)24-6-8-27-9-7-24/h4-5,10-11,13,21H,6-9H2,1-3H3,(H,22,23,25)/t13-/m1/s1
InChIKeyKIMHXTBTUVAICU-CYBMUJFWSA-N
XLogP3.27
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51598314
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089
4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 4890507
3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 42931144
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
6-methoxy-2-(5-methoxy-2-methyl-1H-indol-3-yl)quinoline
CID 18729716
ethyl 5-methoxy-3-[[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate
CID 6581781
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3229528
N-(4-methyl-1,3-thiazol-2-yl)-1-[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]piperidine-4-carboxamide
CID 51961435
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
N-(4-methyl-1,3-thiazol-2-yl)-2-piperazin-1-ylpropanamide
CID 43130749
ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 3839135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide (CID 95850182) is (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide is COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@@H](C)N4CCOCC4)n3)c2c1.
What is the InChIKey of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide?
The InChIKey is KIMHXTBTUVAICU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12-18(15-10-14(26-3)4-5-16(15)21-12)17-11-28-20(22-17)23-19(25)13(2)24-6-8-27-9-7-24/h4-5,10-11,13,21H,6-9H2,1-3H3,(H,22,23,25)/t13-/m1/s1.
What are the key properties of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide?
(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 95850182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).