[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone

C14H24N4OS — CID 116670981

IUPAC[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCN(C)c1nc(N)c(C(=O)N2CC(C)C(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-5-6-17(4)14-16-12(15)11(20-14)13(19)18-7-9(2)10(3)8-18/h9-10H,5-8,15H2,1-4H3
InChIKeyDGLDRXHVPNVUAL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.30
Rot. Bonds4

About [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone

[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 116670981) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID116670981
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCN(C)c1nc(N)c(C(=O)N2CC(C)C(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-5-6-17(4)14-16-12(15)11(20-14)13(19)18-7-9(2)10(3)8-18/h9-10H,5-8,15H2,1-4H3
InChIKeyDGLDRXHVPNVUAL-UHFFFAOYSA-N
XLogP2.30
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 116670981) is [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone is CCCN(C)c1nc(N)c(C(=O)N2CC(C)C(C)C2)s1.
What is the InChIKey of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is DGLDRXHVPNVUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-6-17(4)14-16-12(15)11(20-14)13(19)18-7-9(2)10(3)8-18/h9-10H,5-8,15H2,1-4H3.
What are the key properties of [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone?
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116670981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).