[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate

C16H23ClN4O2S — CID 134117707

IUPAC[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate
SMILESCCN(CC)CC(CNc1nsc2cc(Cl)ccc12)OC(=O)NC
InChIInChI=1S/C16H23ClN4O2S/c1-4-21(5-2)10-12(23-16(22)18-3)9-19-15-13-7-6-11(17)8-14(13)24-20-15/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyKCWIASXBXJDYJF-UHFFFAOYSA-N
MW370.91 g/mol
LogP3.43
Rot. Bonds8

About [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate

[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate (PubChem CID 134117707) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate
PubChem CID134117707
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate
SMILESCCN(CC)CC(CNc1nsc2cc(Cl)ccc12)OC(=O)NC
InChIInChI=1S/C16H23ClN4O2S/c1-4-21(5-2)10-12(23-16(22)18-3)9-19-15-13-7-6-11(17)8-14(13)24-20-15/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyKCWIASXBXJDYJF-UHFFFAOYSA-N
XLogP3.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate with MolForge

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Related Compounds

N-(6-chloro-1,2-benzothiazol-3-yl)-N-ethylnitrous amide
CID 119089088
3,6-dichloro-1,2-benzothiazole
CID 10560097
[1-(4-chlorophenyl)-2-(diethylamino)ethyl] 4-aminobenzoate
CID 24835610
1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol;phosphoric acid
CID 54599799
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 54888765
2-[(5-chloro-1,2-benzothiazol-3-yl)oxy]butanamide
CID 86206526
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(5-chloro-2-methoxyphenyl)benzamide
CID 58727173
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
2-[(6-chloroisoquinolin-1-yl)amino]acetic acid
CID 82571044
N-[2-[(5-chloro-1,2-benzothiazol-3-yl)amino]ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 57436476
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate?
The IUPAC name of [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate (CID 134117707) is [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate.
What is the SMILES notation for [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate?
The canonical SMILES for [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate is CCN(CC)CC(CNc1nsc2cc(Cl)ccc12)OC(=O)NC.
What is the InChIKey of [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate?
The InChIKey is KCWIASXBXJDYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2S/c1-4-21(5-2)10-12(23-16(22)18-3)9-19-15-13-7-6-11(17)8-14(13)24-20-15/h6-8,12H,4-5,9-10H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate?
[1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate has a molecular weight of 370.91 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-1,2-benzothiazol-3-yl)amino]-3-(diethylamino)propan-2-yl] N-methylcarbamate is sourced from PubChem (CID 134117707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).