1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol

C12H22N4OS — CID 154736491

IUPAC1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
SMILESCc1nnc(N2CCC(N(C)CC(C)O)CC2)s1
InChIInChI=1S/C12H22N4OS/c1-9(17)8-15(3)11-4-6-16(7-5-11)12-14-13-10(2)18-12/h9,11,17H,4-8H2,1-3H3
InChIKeyZNGLLKSOUJRFIT-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.13
Rot. Bonds4

About 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol

1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 154736491) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
PubChem CID154736491
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
SMILESCc1nnc(N2CCC(N(C)CC(C)O)CC2)s1
InChIInChI=1S/C12H22N4OS/c1-9(17)8-15(3)11-4-6-16(7-5-11)12-14-13-10(2)18-12/h9,11,17H,4-8H2,1-3H3
InChIKeyZNGLLKSOUJRFIT-UHFFFAOYSA-N
XLogP1.13
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
N,N-diethyl-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 75519593
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 80679860
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]hex-4-en-1-ol
CID 126794865
2-[4-(benzenesulfonyl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 139022993
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol (CID 154736491) is 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol is Cc1nnc(N2CCC(N(C)CC(C)O)CC2)s1.
What is the InChIKey of 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is ZNGLLKSOUJRFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(17)8-15(3)11-4-6-16(7-5-11)12-14-13-10(2)18-12/h9,11,17H,4-8H2,1-3H3.
What are the key properties of 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol?
1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 270.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 154736491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).