N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

C13H23N3OS — CID 107509708

IUPACN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(COC)c(CNC)s1)C1CC1
InChIInChI=1S/C13H23N3OS/c1-4-7-16(10-5-6-10)13-15-11(9-17-3)12(18-13)8-14-2/h10,14H,4-9H2,1-3H3
InChIKeyOYGVXVJVROABKF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.39
Rot. Bonds8

About N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 107509708) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID107509708
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(COC)c(CNC)s1)C1CC1
InChIInChI=1S/C13H23N3OS/c1-4-7-16(10-5-6-10)13-15-11(9-17-3)12(18-13)8-14-2/h10,14H,4-9H2,1-3H3
InChIKeyOYGVXVJVROABKF-UHFFFAOYSA-N
XLogP2.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62768940
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
4-(methoxymethyl)-5-(methylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 107509950
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
[2-[cyclohexyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510864

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (CID 107509708) is N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(COC)c(CNC)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is OYGVXVJVROABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-7-16(10-5-6-10)13-15-11(9-17-3)12(18-13)8-14-2/h10,14H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107509708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).