[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate

C15H18N4O3S — CID 175564111

IUPAC[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate
SMILESCN(C)C1CN(C(=O)c2ccc3nc(COC(N)=O)sc3c2)C1
InChIInChI=1S/C15H18N4O3S/c1-18(2)10-6-19(7-10)14(20)9-3-4-11-12(5-9)23-13(17-11)8-22-15(16)21/h3-5,10H,6-8H2,1-2H3,(H2,16,21)
InChIKeyWXHNHQWZWLZEOZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.28
Rot. Bonds4

About [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate

[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate (PubChem CID 175564111) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate
PubChem CID175564111
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate
SMILESCN(C)C1CN(C(=O)c2ccc3nc(COC(N)=O)sc3c2)C1
InChIInChI=1S/C15H18N4O3S/c1-18(2)10-6-19(7-10)14(20)9-3-4-11-12(5-9)23-13(17-11)8-22-15(16)21/h3-5,10H,6-8H2,1-2H3,(H2,16,21)
InChIKeyWXHNHQWZWLZEOZ-UHFFFAOYSA-N
XLogP1.28
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180940
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
(2-amino-1,3-benzothiazol-6-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220608
(2-ethyl-1,3-benzothiazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594199
1-(2-amino-1,3-benzothiazole-6-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65349267
(4-amino-3-chlorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646832
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153943
1,3-benzothiazol-2-ylmethyl 1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 55623363
[3-(dimethylamino)azetidin-1-yl]-(4-iodo-3-methylphenyl)methanone
CID 172646765
(2-amino-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 60656782
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764

Frequently Asked Questions

What is the IUPAC name of [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate?
The IUPAC name of [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate (CID 175564111) is [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate.
What is the SMILES notation for [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate?
The canonical SMILES for [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate is CN(C)C1CN(C(=O)c2ccc3nc(COC(N)=O)sc3c2)C1.
What is the InChIKey of [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate?
The InChIKey is WXHNHQWZWLZEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18(2)10-6-19(7-10)14(20)9-3-4-11-12(5-9)23-13(17-11)8-22-15(16)21/h3-5,10H,6-8H2,1-2H3,(H2,16,21).
What are the key properties of [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate?
[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate has a molecular weight of 334.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate is sourced from PubChem (CID 175564111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).