N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine

C12H21N3S2 — CID 103701514

IUPACN,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCSC2)s1
InChIInChI=1S/C12H21N3S2/c1-3-15(4-2)12-14-8-11(17-12)7-13-10-5-6-16-9-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYTAJYCYGEIJJKN-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.58
Rot. Bonds6

About N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 103701514) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID103701514
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC NameN,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC2CCSC2)s1
InChIInChI=1S/C12H21N3S2/c1-3-15(4-2)12-14-8-11(17-12)7-13-10-5-6-16-9-10/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYTAJYCYGEIJJKN-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine (CID 103701514) is N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC2CCSC2)s1.
What is the InChIKey of N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is YTAJYCYGEIJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-3-15(4-2)12-14-8-11(17-12)7-13-10-5-6-16-9-10/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 271.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103701514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).