N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide

C12H17N3O3S — CID 155952110

IUPACN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
SMILESNc1nc2c(s1)C[C@@H](NC(=O)CC1OCCO1)CC2
InChIInChI=1S/C12H17N3O3S/c13-12-15-8-2-1-7(5-9(8)19-12)14-10(16)6-11-17-3-4-18-11/h7,11H,1-6H2,(H2,13,15)(H,14,16)/t7-/m0/s1
InChIKeyLFZVVPADGFZWLV-ZETCQYMHSA-N
MW283.35 g/mol
LogP0.46
Rot. Bonds3

About N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide

N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide (PubChem CID 155952110) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
PubChem CID155952110
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide
SMILESNc1nc2c(s1)C[C@@H](NC(=O)CC1OCCO1)CC2
InChIInChI=1S/C12H17N3O3S/c13-12-15-8-2-1-7(5-9(8)19-12)14-10(16)6-11-17-3-4-18-11/h7,11H,1-6H2,(H2,13,15)(H,14,16)/t7-/m0/s1
InChIKeyLFZVVPADGFZWLV-ZETCQYMHSA-N
XLogP0.46
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 138003509
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 110867709
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110866748
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-fluorobenzamide
CID 110867708
N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
CID 66614061
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 166211033
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
CID 166318457
(2R,3R)-2,3-dihydroxybutanedioic acid;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 10294259

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide?
The IUPAC name of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide (CID 155952110) is N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide.
What is the SMILES notation for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide?
The canonical SMILES for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide is Nc1nc2c(s1)C[C@@H](NC(=O)CC1OCCO1)CC2.
What is the InChIKey of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide?
The InChIKey is LFZVVPADGFZWLV-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-12-15-8-2-1-7(5-9(8)19-12)14-10(16)6-11-17-3-4-18-11/h7,11H,1-6H2,(H2,13,15)(H,14,16)/t7-/m0/s1.
What are the key properties of N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide?
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(1,3-dioxolan-2-yl)acetamide is sourced from PubChem (CID 155952110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).