1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol

C14H25N3OS — CID 114953196

IUPAC1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncc(CN(C)CC2(O)CCCC2)s1
InChIInChI=1S/C14H25N3OS/c1-3-8-15-13-16-9-12(19-13)10-17(2)11-14(18)6-4-5-7-14/h9,18H,3-8,10-11H2,1-2H3,(H,15,16)
InChIKeyANDPCXWIWJBYFT-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.70
Rot. Bonds7

About 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol

1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 114953196) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
PubChem CID114953196
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1ncc(CN(C)CC2(O)CCCC2)s1
InChIInChI=1S/C14H25N3OS/c1-3-8-15-13-16-9-12(19-13)10-17(2)11-14(18)6-4-5-7-14/h9,18H,3-8,10-11H2,1-2H3,(H,15,16)
InChIKeyANDPCXWIWJBYFT-UHFFFAOYSA-N
XLogP2.70
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771643
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
CID 79771545
3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
CID 79773867
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
CID 113476329
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
2-[cyanomethyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetonitrile
CID 79772011
5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771449

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol (CID 114953196) is 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol is CCCNc1ncc(CN(C)CC2(O)CCCC2)s1.
What is the InChIKey of 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is ANDPCXWIWJBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-8-15-13-16-9-12(19-13)10-17(2)11-14(18)6-4-5-7-14/h9,18H,3-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).