2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

C12H17N5S — CID 102922985

IUPAC2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2cncnc2)s1
InChIInChI=1S/C12H17N5S/c1-12(2,3)15-5-4-10-16-17-11(18-10)9-6-13-8-14-7-9/h6-8,15H,4-5H2,1-3H3
InChIKeyVQBCSFWOFTZACF-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine

2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (PubChem CID 102922985) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
PubChem CID102922985
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1nnc(-c2cncnc2)s1
InChIInChI=1S/C12H17N5S/c1-12(2,3)15-5-4-10-16-17-11(18-10)9-6-13-8-14-7-9/h6-8,15H,4-5H2,1-3H3
InChIKeyVQBCSFWOFTZACF-UHFFFAOYSA-N
XLogP1.93
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[2-(tert-butylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79735637
2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 102922976
N-[3-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 82877115
2-methyl-N-[2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 66478416
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107003568
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823828
2-methyl-N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 103213385
N-[3-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 106856379
3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 104786719
N-[3-[5-(3-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 81252219
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 106754424
2-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 114025394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine (CID 102922985) is 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is CC(C)(C)NCCc1nnc(-c2cncnc2)s1.
What is the InChIKey of 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is VQBCSFWOFTZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-12(2,3)15-5-4-10-16-17-11(18-10)9-6-13-8-14-7-9/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102922985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).