N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C21H24N4O2S — CID 25066628

IUPACN-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)sc1C(=O)NC1CC1
InChIInChI=1S/C21H24N4O2S/c1-13-19(20(26)24-15-6-7-15)28-21(23-13)25-8-9-27-12-16(25)10-14-11-22-18-5-3-2-4-17(14)18/h2-5,11,15-16,22H,6-10,12H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyVTPVZMGCGPXUOD-INIZCTEOSA-N
MW396.52 g/mol
LogP3.27
Rot. Bonds5

About N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 25066628) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID25066628
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)sc1C(=O)NC1CC1
InChIInChI=1S/C21H24N4O2S/c1-13-19(20(26)24-15-6-7-15)28-21(23-13)25-8-9-27-12-16(25)10-14-11-22-18-5-3-2-4-17(14)18/h2-5,11,15-16,22H,6-10,12H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyVTPVZMGCGPXUOD-INIZCTEOSA-N
XLogP3.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 25066628) is N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)sc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VTPVZMGCGPXUOD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-19(20(26)24-15-6-7-15)28-21(23-13)25-8-9-27-12-16(25)10-14-11-22-18-5-3-2-4-17(14)18/h2-5,11,15-16,22H,6-10,12H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3S)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25066628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).