(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone

C13H18N2O2S — CID 164638418

IUPAC(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone
SMILESC[C@@H]1COCCN(C(=O)c2csc(C3CC3)n2)C1
InChIInChI=1S/C13H18N2O2S/c1-9-6-15(4-5-17-7-9)13(16)11-8-18-12(14-11)10-2-3-10/h8-10H,2-7H2,1H3/t9-/m0/s1
InChIKeyMYYYOYIAZXANSM-VIFPVBQESA-N
MW266.37 g/mol
LogP2.13
Rot. Bonds2

About (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone

(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone (PubChem CID 164638418) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone
PubChem CID164638418
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone
SMILESC[C@@H]1COCCN(C(=O)c2csc(C3CC3)n2)C1
InChIInChI=1S/C13H18N2O2S/c1-9-6-15(4-5-17-7-9)13(16)11-8-18-12(14-11)10-2-3-10/h8-10H,2-7H2,1H3/t9-/m0/s1
InChIKeyMYYYOYIAZXANSM-VIFPVBQESA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone 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

2-(Cyclopropylmethoxy)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53599655
2-(Cyclopropylmethoxy)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53620257
2-(Cyclopropylmethoxy)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56802178
4-(Cyclopropylmethyl)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3-isopropyl-1,4-diazepan-5-one
CID 56896181
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 46944152
4-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol
CID 70754043
1-({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-methyl-1,4-diazepan-6-ol
CID 74237340
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 132386748
[2-(2-Methylpropyl)-1,3-thiazol-4-yl]-(1,3-oxazinan-3-yl)methanone
CID 136542934
[(6S)-6-cyclobutyl-1,4-oxazepan-4-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 164629011
[(6S)-4-cyclopropyl-6-methyl-1,4-diazepan-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 164639289

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone (CID 164638418) is (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone is C[C@@H]1COCCN(C(=O)c2csc(C3CC3)n2)C1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone?
The InChIKey is MYYYOYIAZXANSM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-6-15(4-5-17-7-9)13(16)11-8-18-12(14-11)10-2-3-10/h8-10H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone?
(2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone has a molecular weight of 266.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-4-yl)-[(6S)-6-methyl-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 164638418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).