N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide

C14H14Cl2N2O2S2 — CID 75402955

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C14H14Cl2N2O2S2/c15-11-6-9(13(16)22-11)10-7-21-14(17-10)18-12(19)4-3-8-2-1-5-20-8/h6-8H,1-5H2,(H,17,18,19)
InChIKeyWFMVUNRERGGOAX-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide (PubChem CID 75402955) has the molecular formula C14H14Cl2N2O2S2 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
PubChem CID75402955
Molecular FormulaC14H14Cl2N2O2S2
Molecular Weight377.32 g/mol
Exact Mass375.99
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C14H14Cl2N2O2S2/c15-11-6-9(13(16)22-11)10-7-21-14(17-10)18-12(19)4-3-8-2-1-5-20-8/h6-8H,1-5H2,(H,17,18,19)
InChIKeyWFMVUNRERGGOAX-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 51937676
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55396462
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxan-2-yl]propanamide
CID 97077643
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55396589
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide (CID 75402955) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide?
The InChIKey is WFMVUNRERGGOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S2/c15-11-6-9(13(16)22-11)10-7-21-14(17-10)18-12(19)4-3-8-2-1-5-20-8/h6-8H,1-5H2,(H,17,18,19).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide has a molecular weight of 377.32 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 75402955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).