N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C20H30N4O2S — CID 117090773

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C(C)C
InChIInChI=1S/C20H30N4O2S/c1-14(2)24(15(3)4)8-7-21-19(25)16-5-6-17-18(13-16)27-20(22-17)23-9-11-26-12-10-23/h5-6,13-15H,7-12H2,1-4H3,(H,21,25)
InChIKeyHUKXRVOXQBUPHQ-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 117090773) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID117090773
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C(C)C
InChIInChI=1S/C20H30N4O2S/c1-14(2)24(15(3)4)8-7-21-19(25)16-5-6-17-18(13-16)27-20(22-17)23-9-11-26-12-10-23/h5-6,13-15H,7-12H2,1-4H3,(H,21,25)
InChIKeyHUKXRVOXQBUPHQ-UHFFFAOYSA-N
XLogP2.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-benzothiazole-6-carboxamide
CID 117080272
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889779
N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886712
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 117090418
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886710
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117091922
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 117090773) is N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is CC(C)N(CCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HUKXRVOXQBUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-14(2)24(15(3)4)8-7-21-19(25)16-5-6-17-18(13-16)27-20(22-17)23-9-11-26-12-10-23/h5-6,13-15H,7-12H2,1-4H3,(H,21,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117090773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).