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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Related Compounds

N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260
5-[[(2,3-dimethylcyclopentyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 64907380
5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83010249
5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 79861333
2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042243

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).