N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine

C13H18ClN5S2 — CID 128970204

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1ncsc1CN(Cc1nnsc1Cl)CC1CCNC1
InChIInChI=1S/C13H18ClN5S2/c1-9-12(20-8-16-9)7-19(5-10-2-3-15-4-10)6-11-13(14)21-18-17-11/h8,10,15H,2-7H2,1H3
InChIKeyZUAYSJOMZBZXDX-UHFFFAOYSA-N
MW343.91 g/mol
LogP2.57
Rot. Bonds6

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 128970204) has the molecular formula C13H18ClN5S2 and a molecular weight of 343.91 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID128970204
Molecular FormulaC13H18ClN5S2
Molecular Weight343.91 g/mol
Exact Mass343.07
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCc1ncsc1CN(Cc1nnsc1Cl)CC1CCNC1
InChIInChI=1S/C13H18ClN5S2/c1-9-12(20-8-16-9)7-19(5-10-2-3-15-4-10)6-11-13(14)21-18-17-11/h8,10,15H,2-7H2,1H3
InChIKeyZUAYSJOMZBZXDX-UHFFFAOYSA-N
XLogP2.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 129008081
N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845039
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128995027
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129465620
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638595
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 128970204) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is Cc1ncsc1CN(Cc1nnsc1Cl)CC1CCNC1.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is ZUAYSJOMZBZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5S2/c1-9-12(20-8-16-9)7-19(5-10-2-3-15-4-10)6-11-13(14)21-18-17-11/h8,10,15H,2-7H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 343.91 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 128970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).