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

C11H8Cl2N2OS2 — CID 4092756

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CC1
InChIInChI=1S/C11H8Cl2N2OS2/c12-8-3-6(9(13)18-8)7-4-17-11(14-7)15-10(16)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyDBFAQKSXLKEZRN-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.53
Rot. Bonds3

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 4092756) has the molecular formula C11H8Cl2N2OS2 and a molecular weight of 319.24 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID4092756
Molecular FormulaC11H8Cl2N2OS2
Molecular Weight319.24 g/mol
Exact Mass317.95
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CC1
InChIInChI=1S/C11H8Cl2N2OS2/c12-8-3-6(9(13)18-8)7-4-17-11(14-7)15-10(16)5-1-2-5/h3-5H,1-2H2,(H,14,15,16)
InChIKeyDBFAQKSXLKEZRN-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4168447
N-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]benzamide
CID 801259
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2415029
N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2740553
2-[4-(2,5-Dichlorothiophen-3-yl)-1,3-thiazol-2-yl]guanidine
CID 2806019
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 4834251
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 5098079
4-(2,5-Dichloro-3-thienyl)-1,3-thiazol-2-amine
CID 959110
n-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 727495
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 870978
N-(4-(5-chlorothiophen-2-yl)thiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597170
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 8670631

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 4092756) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CC1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is DBFAQKSXLKEZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS2/c12-8-3-6(9(13)18-8)7-4-17-11(14-7)15-10(16)5-1-2-5/h3-5H,1-2H2,(H,14,15,16).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 319.24 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 4092756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).