N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine

C14H25N3O2S — CID 107509930

IUPACN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CC2)nc1COC
InChIInChI=1S/C14H25N3O2S/c1-17(9-11-4-5-11)14-16-12(10-19-3)13(20-14)8-15-6-7-18-2/h11,15H,4-10H2,1-3H3
InChIKeyHNUBPYUNAPDUFT-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.87
Rot. Bonds10

About N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 107509930) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID107509930
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CC2)nc1COC
InChIInChI=1S/C14H25N3O2S/c1-17(9-11-4-5-11)14-16-12(10-19-3)13(20-14)8-15-6-7-18-2/h11,15H,4-10H2,1-3H3
InChIKeyHNUBPYUNAPDUFT-UHFFFAOYSA-N
XLogP1.87
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine (CID 107509930) is N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC2CC2)nc1COC.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HNUBPYUNAPDUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-17(9-11-4-5-11)14-16-12(10-19-3)13(20-14)8-15-6-7-18-2/h11,15H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).