N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine

C7H12N4S — CID 130870175

IUPACN-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1nnsc1CNC1CCNC1
InChIInChI=1S/C7H12N4S/c1-2-8-3-6(1)9-4-7-5-10-11-12-7/h5-6,8-9H,1-4H2
InChIKeyNMGFLOFMFAKGPA-UHFFFAOYSA-N
MW184.27 g/mol
LogP-0.01
Rot. Bonds3

About N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine

N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine (PubChem CID 130870175) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine
PubChem CID130870175
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine
SMILESc1nnsc1CNC1CCNC1
InChIInChI=1S/C7H12N4S/c1-2-8-3-6(1)9-4-7-5-10-11-12-7/h5-6,8-9H,1-4H2
InChIKeyNMGFLOFMFAKGPA-UHFFFAOYSA-N
XLogP-0.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 71640351
(3S)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636752
N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 89348963
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
(3S,4R)-4-(thiadiazol-5-ylmethylamino)oxolan-3-ol
CID 130703539
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
CID 118390239
(3R)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71304599
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 79741576
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
5-(azetidin-3-ylmethyl)thiadiazole
CID 130600555

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine (CID 130870175) is N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine is c1nnsc1CNC1CCNC1.
What is the InChIKey of N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine?
The InChIKey is NMGFLOFMFAKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-8-3-6(1)9-4-7-5-10-11-12-7/h5-6,8-9H,1-4H2.
What are the key properties of N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine?
N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine has a molecular weight of 184.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 130870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).