N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 164633838

IUPACN,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C[C@H]2CCN(C(C)C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)16-6-5-11(8-16)7-15(4)12-14-13-10(3)17-12/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyHFQCFBLVHARDNH-LLVKDONJSA-N
MW254.40 g/mol
LogP2.01
Rot. Bonds4

About N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 164633838) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID164633838
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)C[C@H]2CCN(C(C)C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)16-6-5-11(8-16)7-15(4)12-14-13-10(3)17-12/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyHFQCFBLVHARDNH-LLVKDONJSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 164633838) is N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)C[C@H]2CCN(C(C)C)C2)s1.
What is the InChIKey of N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HFQCFBLVHARDNH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)16-6-5-11(8-16)7-15(4)12-14-13-10(3)17-12/h9,11H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 164633838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).