N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide

C21H21ClN4OS — CID 43963344

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)nc12
InChIInChI=1S/C21H21ClN4OS/c1-13-10-14(22)11-18-19(13)24-21(28-18)26(9-8-25(2)3)20(27)16-12-23-17-7-5-4-6-15(16)17/h4-7,10-12,23H,8-9H2,1-3H3
InChIKeyWSYGBLJNPMYPDY-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.95
Rot. Bonds5

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide (PubChem CID 43963344) has the molecular formula C21H21ClN4OS and a molecular weight of 412.95 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide
PubChem CID43963344
Molecular FormulaC21H21ClN4OS
Molecular Weight412.95 g/mol
Exact Mass412.11
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide
SMILESCc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)nc12
InChIInChI=1S/C21H21ClN4OS/c1-13-10-14(22)11-18-19(13)24-21(28-18)26(9-8-25(2)3)20(27)16-12-23-17-7-5-4-6-15(16)17/h4-7,10-12,23H,8-9H2,1-3H3
InChIKeyWSYGBLJNPMYPDY-UHFFFAOYSA-N
XLogP4.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43962273
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylsulfanylbenzamide
CID 25319115
4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44928985
N-[2-(dimethylamino)ethyl]-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-indole-3-carboxamide
CID 71778781
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 43963395
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
CID 43963151
2,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide
CID 43965570
methyl 4-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-(dimethylamino)ethyl]carbamoyl]benzoate;hydrochloride
CID 44929036
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-methylsulfanylbenzamide;hydrochloride
CID 44929116
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-methylsulfonylbenzamide
CID 25319124
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 25318952
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
CID 43963059

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide (CID 43963344) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide is Cc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide?
The InChIKey is WSYGBLJNPMYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c1-13-10-14(22)11-18-19(13)24-21(28-18)26(9-8-25(2)3)20(27)16-12-23-17-7-5-4-6-15(16)17/h4-7,10-12,23H,8-9H2,1-3H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide has a molecular weight of 412.95 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 43963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).