1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

C12H21N3OS — CID 111466430

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ncsc1CNCC(O)CN1CCCC1
InChIInChI=1S/C12H21N3OS/c1-10-12(17-9-14-10)7-13-6-11(16)8-15-4-2-3-5-15/h9,11,13,16H,2-8H2,1H3
InChIKeyKKPIASSIAGQVAG-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.00
Rot. Bonds6

About 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 111466430) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID111466430
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1ncsc1CNCC(O)CN1CCCC1
InChIInChI=1S/C12H21N3OS/c1-10-12(17-9-14-10)7-13-6-11(16)8-15-4-2-3-5-15/h9,11,13,16H,2-8H2,1H3
InChIKeyKKPIASSIAGQVAG-UHFFFAOYSA-N
XLogP1.00
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 111466530
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 71982540
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47814711
2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115667007

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 111466430) is 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1ncsc1CNCC(O)CN1CCCC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is KKPIASSIAGQVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-12(17-9-14-10)7-13-6-11(16)8-15-4-2-3-5-15/h9,11,13,16H,2-8H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 255.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 111466430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).