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

C13H23N3S2 — CID 62750099

IUPACN-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCSC2)s1
InChIInChI=1S/C13H23N3S2/c1-4-6-14-10(2)12-8-15-13(18-12)16(3)11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyQIVBZIFJBOYRPF-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.15
Rot. Bonds6

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

N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62750099) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62750099
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC NameN-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCSC2)s1
InChIInChI=1S/C13H23N3S2/c1-4-6-14-10(2)12-8-15-13(18-12)16(3)11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyQIVBZIFJBOYRPF-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750951
5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754199
N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62751271
2-[methyl(thiolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62757636
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
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62750099) is N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(C)C2CCSC2)s1.
What is the InChIKey of N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QIVBZIFJBOYRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-4-6-14-10(2)12-8-15-13(18-12)16(3)11-5-7-17-9-11/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 285.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).