2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine

C13H21ClN2OS — CID 113369421

IUPAC2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(CCCCl)cs2)C1
InChIInChI=1S/C13H21ClN2OS/c1-2-6-16-7-8-17-12(9-16)13-15-11(10-18-13)4-3-5-14/h10,12H,2-9H2,1H3
InChIKeyFNELKMWDHPSLAR-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine

2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine (PubChem CID 113369421) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine.

Molecular Properties

Compound Name2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine
PubChem CID113369421
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine
SMILESCCCN1CCOC(c2nc(CCCCl)cs2)C1
InChIInChI=1S/C13H21ClN2OS/c1-2-6-16-7-8-17-12(9-16)13-15-11(10-18-13)4-3-5-14/h10,12H,2-9H2,1H3
InChIKeyFNELKMWDHPSLAR-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 79669267
[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methanamine
CID 79088973
methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
CID 99843497
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
4-(2-chloroethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazole
CID 130512297
2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
CID 86772824
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79088243
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine?
The IUPAC name of 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine (CID 113369421) is 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine.
What is the SMILES notation for 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine?
The canonical SMILES for 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine is CCCN1CCOC(c2nc(CCCCl)cs2)C1.
What is the InChIKey of 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine?
The InChIKey is FNELKMWDHPSLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-2-6-16-7-8-17-12(9-16)13-15-11(10-18-13)4-3-5-14/h10,12H,2-9H2,1H3.
What are the key properties of 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine?
2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine has a molecular weight of 288.84 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine is sourced from PubChem (CID 113369421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).