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

C16H30N4S — CID 79311621

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)CC2CCCN2CC)s1
InChIInChI=1S/C16H30N4S/c1-5-9-17-13(3)15-11-18-16(21-15)19(4)12-14-8-7-10-20(14)6-2/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeySXSXMKIQTGGJSF-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.12
Rot. Bonds8

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 79311621) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID79311621
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)CC2CCCN2CC)s1
InChIInChI=1S/C16H30N4S/c1-5-9-17-13(3)15-11-18-16(21-15)19(4)12-14-8-7-10-20(14)6-2/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeySXSXMKIQTGGJSF-UHFFFAOYSA-N
XLogP3.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62854238
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750951
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099
N-methyl-5-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234787
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
N-[1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62751961
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 79311006
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396847

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 79311621) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(C)CC2CCCN2CC)s1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is SXSXMKIQTGGJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-9-17-13(3)15-11-18-16(21-15)19(4)12-14-8-7-10-20(14)6-2/h11,13-14,17H,5-10,12H2,1-4H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79311621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).