N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide

C17H18ClN5O2S2 — CID 43997954

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C17H18ClN5O2S2/c1-11-15(27-21-20-11)16(24)23(6-5-22-7-9-25-10-8-22)17-19-14-12(18)3-2-4-13(14)26-17/h2-4H,5-10H2,1H3
InChIKeyKVDJBVMTEIKLTF-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.09
Rot. Bonds5

About N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide (PubChem CID 43997954) has the molecular formula C17H18ClN5O2S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
PubChem CID43997954
Molecular FormulaC17H18ClN5O2S2
Molecular Weight423.95 g/mol
Exact Mass423.06
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C17H18ClN5O2S2/c1-11-15(27-21-20-11)16(24)23(6-5-22-7-9-25-10-8-22)17-19-14-12(18)3-2-4-13(14)26-17/h2-4H,5-10H2,1H3
InChIKeyKVDJBVMTEIKLTF-UHFFFAOYSA-N
XLogP3.09
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 71779946
2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137634
N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583109
N-(4-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583107
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
CID 18583090
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43997955
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 30851392
N-(4-chloro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934742
4-tert-butyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998694
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 43987288
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 121046515
2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069473

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide (CID 43997954) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is KVDJBVMTEIKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S2/c1-11-15(27-21-20-11)16(24)23(6-5-22-7-9-25-10-8-22)17-19-14-12(18)3-2-4-13(14)26-17/h2-4H,5-10H2,1H3.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 43997954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).