N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C19H29N3OS — CID 113247542

IUPACN-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C(C)C)c(CNCCOC)s1
InChIInChI=1S/C19H29N3OS/c1-5-22(14-16-9-7-6-8-10-16)19-21-18(15(2)3)17(24-19)13-20-11-12-23-4/h6-10,15,20H,5,11-14H2,1-4H3
InChIKeyPERJVPVOOOIEOM-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.03
Rot. Bonds10

About N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 113247542) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID113247542
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C(C)C)c(CNCCOC)s1
InChIInChI=1S/C19H29N3OS/c1-5-22(14-16-9-7-6-8-10-16)19-21-18(15(2)3)17(24-19)13-20-11-12-23-4/h6-10,15,20H,5,11-14H2,1-4H3
InChIKeyPERJVPVOOOIEOM-UHFFFAOYSA-N
XLogP4.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.03
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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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
2-methoxy-N-[(4-propan-2-yl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82435064
2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435372
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N-ethyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767163
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 113247542) is N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CCN(Cc1ccccc1)c1nc(C(C)C)c(CNCCOC)s1.
What is the InChIKey of N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is PERJVPVOOOIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-5-22(14-16-9-7-6-8-10-16)19-21-18(15(2)3)17(24-19)13-20-11-12-23-4/h6-10,15,20H,5,11-14H2,1-4H3.
What are the key properties of N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 347.53 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 113247542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).