N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine

C17H24N6S — CID 95820334

IUPACN-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C2CCCC2)n1
InChIInChI=1S/C17H24N6S/c1-11-18-14(10-16(19-11)20-17-22-21-12(2)24-17)15-8-5-9-23(15)13-6-3-4-7-13/h10,13,15H,3-9H2,1-2H3,(H,18,19,20,22)/t15-/m1/s1
InChIKeyOMWMVJXXZPVCTI-OAHLLOKOSA-N
MW344.49 g/mol
LogP3.77
Rot. Bonds4

About N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 95820334) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID95820334
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C2CCCC2)n1
InChIInChI=1S/C17H24N6S/c1-11-18-14(10-16(19-11)20-17-22-21-12(2)24-17)15-8-5-9-23(15)13-6-3-4-7-13/h10,13,15H,3-9H2,1-2H3,(H,18,19,20,22)/t15-/m1/s1
InChIKeyOMWMVJXXZPVCTI-OAHLLOKOSA-N
XLogP3.77
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 95820334) is N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C2CCCC2)n1.
What is the InChIKey of N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OMWMVJXXZPVCTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6S/c1-11-18-14(10-16(19-11)20-17-22-21-12(2)24-17)15-8-5-9-23(15)13-6-3-4-7-13/h10,13,15H,3-9H2,1-2H3,(H,18,19,20,22)/t15-/m1/s1.
What are the key properties of N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 344.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95820334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).