N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C11H19ClN4S — CID 106615752

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nnsc1Cl)CC1CCCN1
InChIInChI=1S/C11H19ClN4S/c1-2-6-16(7-9-4-3-5-13-9)8-10-11(12)17-15-14-10/h9,13H,2-8H2,1H3
InChIKeyNAJSTEHTDNJJPN-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.16
Rot. Bonds6

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106615752) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106615752
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nnsc1Cl)CC1CCCN1
InChIInChI=1S/C11H19ClN4S/c1-2-6-16(7-9-4-3-5-13-9)8-10-11(12)17-15-14-10/h9,13H,2-8H2,1H3
InChIKeyNAJSTEHTDNJJPN-UHFFFAOYSA-N
XLogP2.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638595
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603931
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106615752) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1nnsc1Cl)CC1CCCN1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is NAJSTEHTDNJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-2-6-16(7-9-4-3-5-13-9)8-10-11(12)17-15-14-10/h9,13H,2-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 274.82 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106615752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).