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

C15H25N3OS — CID 64519919

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC2CC2)C2CC2)nc1C
InChIInChI=1S/C15H25N3OS/c1-11-14(9-16-7-8-19-2)20-15(17-11)18(13-5-6-13)10-12-3-4-12/h12-13,16H,3-10H2,1-2H3
InChIKeyZMMUVLQDBURZNY-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.57
Rot. Bonds9

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

N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 64519919) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID64519919
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(CC2CC2)C2CC2)nc1C
InChIInChI=1S/C15H25N3OS/c1-11-14(9-16-7-8-19-2)20-15(17-11)18(13-5-6-13)10-12-3-4-12/h12-13,16H,3-10H2,1-2H3
InChIKeyZMMUVLQDBURZNY-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine (CID 64519919) is N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine is COCCNCc1sc(N(CC2CC2)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZMMUVLQDBURZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-14(9-16-7-8-19-2)20-15(17-11)18(13-5-6-13)10-12-3-4-12/h12-13,16H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine?
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).