2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid

C14H19N3O2S — CID 87530986

IUPAC2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCNc1nc2ccccc2s1)C(=O)O
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)17(13(18)19)9-8-15-12-16-10-6-4-5-7-11(10)20-12/h4-7H,8-9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyYAXDZYHOHMIQKK-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.49
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid

2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid (PubChem CID 87530986) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
PubChem CID87530986
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCNc1nc2ccccc2s1)C(=O)O
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)17(13(18)19)9-8-15-12-16-10-6-4-5-7-11(10)20-12/h4-7H,8-9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyYAXDZYHOHMIQKK-UHFFFAOYSA-N
XLogP3.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721021
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103837758
[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]methyl-tert-butylcarbamic acid
CID 67276718

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid (CID 87530986) is 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCNc1nc2ccccc2s1)C(=O)O.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid?
The InChIKey is YAXDZYHOHMIQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,3)17(13(18)19)9-8-15-12-16-10-6-4-5-7-11(10)20-12/h4-7H,8-9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid?
2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid has a molecular weight of 293.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 87530986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).