N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide

C18H28N4OS — CID 117080272

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCNc1nc2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2s1
InChIInChI=1S/C18H28N4OS/c1-6-19-18-21-15-8-7-14(11-16(15)24-18)17(23)20-9-10-22(12(2)3)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,21)(H,20,23)
InChIKeyMKKIIQGDLPTIDP-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.58
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117080272) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117080272
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
SMILESCCNc1nc2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2s1
InChIInChI=1S/C18H28N4OS/c1-6-19-18-21-15-8-7-14(11-16(15)24-18)17(23)20-9-10-22(12(2)3)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,21)(H,20,23)
InChIKeyMKKIIQGDLPTIDP-UHFFFAOYSA-N
XLogP3.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117091922
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087073
N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
butyl 2-(ethylamino)-1,3-benzothiazole-6-carboxylate
CID 82549191
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-ethyl-6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549051
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide (CID 117080272) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide is CCNc1nc2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2s1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MKKIIQGDLPTIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-6-19-18-21-15-8-7-14(11-16(15)24-18)17(23)20-9-10-22(12(2)3)13(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117080272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).