5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C13H21N3S2 — CID 62766755

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S2/c1-9-12(7-14-10-3-4-10)18-13(15-9)16(2)11-5-6-17-8-11/h10-11,14H,3-8H2,1-2H3
InChIKeyRKKHDFJQLIJLTJ-UHFFFAOYSA-N
MW283.47 g/mol
LogP2.65
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62766755) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62766755
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNC1CC1
InChIInChI=1S/C13H21N3S2/c1-9-12(7-14-10-3-4-10)18-13(15-9)16(2)11-5-6-17-8-11/h10-11,14H,3-8H2,1-2H3
InChIKeyRKKHDFJQLIJLTJ-UHFFFAOYSA-N
XLogP2.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62766755) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCSC2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is RKKHDFJQLIJLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-9-12(7-14-10-3-4-10)18-13(15-9)16(2)11-5-6-17-8-11/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 283.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).