3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

C14H13ClN4OS — CID 110873509

IUPAC3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCc1nn2cc(CCNC(=O)c3cccc(Cl)c3)nc2s1
InChIInChI=1S/C14H13ClN4OS/c1-9-18-19-8-12(17-14(19)21-9)5-6-16-13(20)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H,16,20)
InChIKeyACLCFIHKEQBHOU-UHFFFAOYSA-N
MW320.81 g/mol
LogP2.73
Rot. Bonds4

About 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide

3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (PubChem CID 110873509) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
PubChem CID110873509
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
SMILESCc1nn2cc(CCNC(=O)c3cccc(Cl)c3)nc2s1
InChIInChI=1S/C14H13ClN4OS/c1-9-18-19-8-12(17-14(19)21-9)5-6-16-13(20)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H,16,20)
InChIKeyACLCFIHKEQBHOU-UHFFFAOYSA-N
XLogP2.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
CID 110873450
3-chloro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400922
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
3-chloro-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429914
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[2-(1-tritylsulfanylimidazol-4-yl)ethyl]benzamide
CID 10530074
2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
CID 39749826

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide (CID 110873509) is 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is Cc1nn2cc(CCNC(=O)c3cccc(Cl)c3)nc2s1.
What is the InChIKey of 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
The InChIKey is ACLCFIHKEQBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-9-18-19-8-12(17-14(19)21-9)5-6-16-13(20)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6H2,1H3,(H,16,20).
What are the key properties of 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide?
3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide has a molecular weight of 320.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide is sourced from PubChem (CID 110873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).