N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H20ClN5S — CID 62430861

IUPACN-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClN5S/c1-19(10-13-4-5-14(15)21-13)6-7-20-9-12(17-18-20)8-16-11-2-3-11/h4-5,9,11,16H,2-3,6-8,10H2,1H3
InChIKeyNGIUGWVMNDKXNX-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.38
Rot. Bonds8

About N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62430861) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62430861
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC NameN-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H20ClN5S/c1-19(10-13-4-5-14(15)21-13)6-7-20-9-12(17-18-20)8-16-11-2-3-11/h4-5,9,11,16H,2-3,6-8,10H2,1H3
InChIKeyNGIUGWVMNDKXNX-UHFFFAOYSA-N
XLogP2.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435004
1-[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 128994762
4-(3-chlorothiophen-2-yl)-1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]triazole
CID 167775047
1-[(5-Chlorothiophen-2-YL)methyl]-1H-pyrazol-4-amine
CID 28374025
N-{[1-({1-[(5-chloro-2-thienyl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methyl}urea
CID 28956509
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534721
N-((5-Chlorothiophen-2-yl)methyl)-1-methyl-1H-pyrazol-4-amine
CID 43534818
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylpyrazol-4-amine
CID 43543258
N-[(5-chlorothiophen-2-yl)methyl]-1-ethylpyrazol-4-amine
CID 43543352
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(triazol-1-yl)aniline
CID 43676135
1-(5-chlorothiophen-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 43692575

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62430861) is N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CN(CCn1cc(CNC2CC2)nn1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NGIUGWVMNDKXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-19(10-13-4-5-14(15)21-13)6-7-20-9-12(17-18-20)8-16-11-2-3-11/h4-5,9,11,16H,2-3,6-8,10H2,1H3.
What are the key properties of N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 325.87 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62430861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).