2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide

C14H15ClN2O3S2 — CID 126767657

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(CO)CCOC1
InChIInChI=1S/C14H15ClN2O3S2/c15-11-2-1-10(22-11)13-16-9(6-21-13)5-12(19)17-14(7-18)3-4-20-8-14/h1-2,6,18H,3-5,7-8H2,(H,17,19)
InChIKeyFHBBULHPCNIAOW-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide

2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide (PubChem CID 126767657) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
PubChem CID126767657
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(CO)CCOC1
InChIInChI=1S/C14H15ClN2O3S2/c15-11-2-1-10(22-11)13-16-9(6-21-13)5-12(19)17-14(7-18)3-4-20-8-14/h1-2,6,18H,3-5,7-8H2,(H,17,19)
InChIKeyFHBBULHPCNIAOW-UHFFFAOYSA-N
XLogP2.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119568399
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187381
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
2-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbutanoic acid
CID 119198929
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119509432
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid
CID 119203701
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)ethyl]acetamide
CID 119509433
N-(3-aminobutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499585
2-[4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxan-4-yl]acetic acid
CID 119214943
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 86841367

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide (CID 126767657) is 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide is O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(CO)CCOC1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide?
The InChIKey is FHBBULHPCNIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c15-11-2-1-10(22-11)13-16-9(6-21-13)5-12(19)17-14(7-18)3-4-20-8-14/h1-2,6,18H,3-5,7-8H2,(H,17,19).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide has a molecular weight of 358.87 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-[3-(hydroxymethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126767657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).