N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C13H23N3O2S2 — CID 62750457

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C13H23N3O2S2/c1-4-6-14-10(2)12-8-15-13(19-12)16(3)11-5-7-20(17,18)9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLGAJZMPTSNCHOT-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.83
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62750457) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62750457
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C13H23N3O2S2/c1-4-6-14-10(2)12-8-15-13(19-12)16(3)11-5-7-20(17,18)9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyLGAJZMPTSNCHOT-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
CID 43648827
N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 79311621
5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117241
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62753039
4-chloro-2-[(1,1-dioxothiolan-3-yl)-methylamino]-1,3-thiazole-5-carbaldehyde
CID 80687059

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 62750457) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(C)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LGAJZMPTSNCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-6-14-10(2)12-8-15-13(19-12)16(3)11-5-7-20(17,18)9-11/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 317.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).