1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol

C15H27N3O2S — CID 62977404

IUPAC1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESCc1ncsc1CCOCC(O)CNCCN(C)C1CC1
InChIInChI=1S/C15H27N3O2S/c1-12-15(21-11-17-12)5-8-20-10-14(19)9-16-6-7-18(2)13-3-4-13/h11,13-14,16,19H,3-10H2,1-2H3
InChIKeyAINUWNWIPUMASQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.06
Rot. Bonds11

About 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol

1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (PubChem CID 62977404) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
PubChem CID62977404
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESCc1ncsc1CCOCC(O)CNCCN(C)C1CC1
InChIInChI=1S/C15H27N3O2S/c1-12-15(21-11-17-12)5-8-20-10-14(19)9-16-6-7-18(2)13-3-4-13/h11,13-14,16,19H,3-10H2,1-2H3
InChIKeyAINUWNWIPUMASQ-UHFFFAOYSA-N
XLogP1.06
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[methyl(propan-2-yl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62642692
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-N,N-dimethylacetamide
CID 60901617
1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 114467258
1-[(2-methylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 63281619
1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518407
3-[[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]methyl]pentan-3-ol
CID 65111546
1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 64909984
1-[2-(3-hydroxypropylsulfanyl)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 106310112
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-hexoxypropan-2-ol
CID 55142384

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (CID 62977404) is 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is Cc1ncsc1CCOCC(O)CNCCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The InChIKey is AINUWNWIPUMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-12-15(21-11-17-12)5-8-20-10-14(19)9-16-6-7-18(2)13-3-4-13/h11,13-14,16,19H,3-10H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol has a molecular weight of 313.47 g/mol, XLogP of 1.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 62977404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).