2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide

C15H21BrN2O3S — CID 124888880

IUPAC2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOC[C@H]1CCCO1)c1nc(Br)sc1C1CC1
InChIInChI=1S/C15H21BrN2O3S/c16-15-18-12(13(22-15)10-4-5-10)14(19)17-6-2-7-20-9-11-3-1-8-21-11/h10-11H,1-9H2,(H,17,19)/t11-/m1/s1
InChIKeyGJLRFFKKFXDRME-LLVKDONJSA-N
MW389.32 g/mol
LogP3.10
Rot. Bonds8

About 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide

2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 124888880) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
PubChem CID124888880
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCOC[C@H]1CCCO1)c1nc(Br)sc1C1CC1
InChIInChI=1S/C15H21BrN2O3S/c16-15-18-12(13(22-15)10-4-5-10)14(19)17-6-2-7-20-9-11-3-1-8-21-11/h10-11H,1-9H2,(H,17,19)/t11-/m1/s1
InChIKeyGJLRFFKKFXDRME-LLVKDONJSA-N
XLogP3.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibromo-N-[3-(oxolan-2-ylmethoxy)propyl]thiophene-2-carboxamide
CID 78912774
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
1-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 112834309
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide (CID 124888880) is 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide is O=C(NCCCOC[C@H]1CCCO1)c1nc(Br)sc1C1CC1.
What is the InChIKey of 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GJLRFFKKFXDRME-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c16-15-18-12(13(22-15)10-4-5-10)14(19)17-6-2-7-20-9-11-3-1-8-21-11/h10-11H,1-9H2,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide?
2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 389.32 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124888880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).