[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C14H25N5OS — CID 116665893

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C14H25N5OS/c1-5-18(6-2)10-7-8-19(9-10)13(20)11-12(15)16-14(21-11)17(3)4/h10H,5-9,15H2,1-4H3
InChIKeyOCIANAMRUBHZGE-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.35
Rot. Bonds5

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 116665893) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID116665893
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2sc(N(C)C)nc2N)C1
InChIInChI=1S/C14H25N5OS/c1-5-18(6-2)10-7-8-19(9-10)13(20)11-12(15)16-14(21-11)17(3)4/h10H,5-9,15H2,1-4H3
InChIKeyOCIANAMRUBHZGE-UHFFFAOYSA-N
XLogP1.35
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 116665893) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2sc(N(C)C)nc2N)C1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is OCIANAMRUBHZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-5-18(6-2)10-7-8-19(9-10)13(20)11-12(15)16-14(21-11)17(3)4/h10H,5-9,15H2,1-4H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 311.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 116665893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).