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

C12H23N3OS — CID 113476329

IUPAC2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
SMILESCCCNc1ncc(CN(C)C(C)(C)CO)s1
InChIInChI=1S/C12H23N3OS/c1-5-6-13-11-14-7-10(17-11)8-15(4)12(2,3)9-16/h7,16H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyARZSCXQSHGAJAW-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.17
Rot. Bonds7

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

2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol (PubChem CID 113476329) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
PubChem CID113476329
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
SMILESCCCNc1ncc(CN(C)C(C)(C)CO)s1
InChIInChI=1S/C12H23N3OS/c1-5-6-13-11-14-7-10(17-11)8-15(4)12(2,3)9-16/h7,16H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyARZSCXQSHGAJAW-UHFFFAOYSA-N
XLogP2.17
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771643
1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953196
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771449
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
CID 79771545
2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486285
5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774640
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
2-[cyanomethyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetonitrile
CID 79772011
3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
CID 79773867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol (CID 113476329) is 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol is CCCNc1ncc(CN(C)C(C)(C)CO)s1.
What is the InChIKey of 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol?
The InChIKey is ARZSCXQSHGAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-6-13-11-14-7-10(17-11)8-15(4)12(2,3)9-16/h7,16H,5-6,8-9H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol?
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 113476329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).