(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide

C19H28N6O2S — CID 155589834

IUPAC(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)[C@H](C)NC)n1
InChIInChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25)/t12-/m0/s1
InChIKeyWCGIBZMLLQRFCZ-LBPRGKRZSA-N
MW404.54 g/mol
LogP2.61
Rot. Bonds10

About (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide

(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide (PubChem CID 155589834) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
PubChem CID155589834
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)[C@H](C)NC)n1
InChIInChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25)/t12-/m0/s1
InChIKeyWCGIBZMLLQRFCZ-LBPRGKRZSA-N
XLogP2.61
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide (CID 155589834) is (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide is CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCNC(=O)[C@H](C)NC)n1.
What is the InChIKey of (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
The InChIKey is WCGIBZMLLQRFCZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-4-15-23-16(25-19-22-11-14(28-19)13-6-5-7-13)10-17(24-15)27-9-8-21-18(26)12(2)20-3/h10-13,20H,4-9H2,1-3H3,(H,21,26)(H,22,23,24,25)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide?
(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide has a molecular weight of 404.54 g/mol, XLogP of 2.61, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 155589834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).