4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole

C8H13N3S — CID 130600636

IUPAC4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole
SMILESCc1nnsc1CC1CCNC1
InChIInChI=1S/C8H13N3S/c1-6-8(12-11-10-6)4-7-2-3-9-5-7/h7,9H,2-5H2,1H3
InChIKeyWANMNZRFAWUYAP-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.00
Rot. Bonds2

About 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole

4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole (PubChem CID 130600636) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole
PubChem CID130600636
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole
SMILESCc1nnsc1CC1CCNC1
InChIInChI=1S/C8H13N3S/c1-6-8(12-11-10-6)4-7-2-3-9-5-7/h7,9H,2-5H2,1H3
InChIKeyWANMNZRFAWUYAP-UHFFFAOYSA-N
XLogP1.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidin-4-yl-5-propylthiadiazole
CID 20613883
N-[3-(4-ethylthiadiazol-5-yl)hexyl]acetamide
CID 70614520
N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-2-amine
CID 65209006
N-[(4-cyclopentylthiadiazol-5-yl)methyl]propan-1-amine
CID 65209064
N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 65209131
N-[(4-cyclopentylthiadiazol-5-yl)methyl]ethanamine
CID 65209282
N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 65209298
N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 65209352
N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
CID 65209401
1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine
CID 65209450
N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-1-amine
CID 65209513
N-[(4-cyclohexylthiadiazol-5-yl)methyl]propan-2-amine
CID 65209517

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole?
The IUPAC name of 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole (CID 130600636) is 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole is Cc1nnsc1CC1CCNC1.
What is the InChIKey of 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole?
The InChIKey is WANMNZRFAWUYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-8(12-11-10-6)4-7-2-3-9-5-7/h7,9H,2-5H2,1H3.
What are the key properties of 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole?
4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(pyrrolidin-3-ylmethyl)thiadiazole is sourced from PubChem (CID 130600636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).