(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C14H17N3OS — CID 79180940

IUPAC(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc(N)sc3c2)CC1C
InChIInChI=1S/C14H17N3OS/c1-8-6-17(7-9(8)2)13(18)10-3-4-11-12(5-10)19-14(15)16-11/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16)
InChIKeyYZGVIVUKIKOSIB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.61
Rot. Bonds1

About (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79180940) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79180940
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc(N)sc3c2)CC1C
InChIInChI=1S/C14H17N3OS/c1-8-6-17(7-9(8)2)13(18)10-3-4-11-12(5-10)19-14(15)16-11/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16)
InChIKeyYZGVIVUKIKOSIB-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79180940) is (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2ccc3nc(N)sc3c2)CC1C.
What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is YZGVIVUKIKOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-6-17(7-9(8)2)13(18)10-3-4-11-12(5-10)19-14(15)16-11/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 275.38 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-6-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79180940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).