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

C16H28N2O2S — CID 64909984

IUPAC1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESCc1ncsc1CCOCC(O)CNC1CCC(C)C1C
InChIInChI=1S/C16H28N2O2S/c1-11-4-5-15(12(11)2)17-8-14(19)9-20-7-6-16-13(3)18-10-21-16/h10-12,14-15,17,19H,4-9H2,1-3H3
InChIKeySSVMKUIJESFASY-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.40
Rot. Bonds8

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

1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (PubChem CID 64909984) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
PubChem CID64909984
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESCc1ncsc1CCOCC(O)CNC1CCC(C)C1C
InChIInChI=1S/C16H28N2O2S/c1-11-4-5-15(12(11)2)17-8-14(19)9-20-7-6-16-13(3)18-10-21-16/h10-12,14-15,17,19H,4-9H2,1-3H3
InChIKeySSVMKUIJESFASY-UHFFFAOYSA-N
XLogP2.40
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 63281619
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
CID 106189128
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62977404
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
1-[2-[methyl(propan-2-yl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62642692
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-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 114467258
2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-N,N-dimethylacetamide
CID 60901617
3-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-4-methylpentan-1-ol
CID 104891894

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (CID 64909984) is 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is Cc1ncsc1CCOCC(O)CNC1CCC(C)C1C.
What is the InChIKey of 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The InChIKey is SSVMKUIJESFASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11-4-5-15(12(11)2)17-8-14(19)9-20-7-6-16-13(3)18-10-21-16/h10-12,14-15,17,19H,4-9H2,1-3H3.
What are the key properties of 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol has a molecular weight of 312.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 64909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).