N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine

C9H14ClN3S — CID 83157009

IUPACN-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine
SMILESNCC1(Nc2nc(Cl)cs2)CCCC1
InChIInChI=1S/C9H14ClN3S/c10-7-5-14-8(12-7)13-9(6-11)3-1-2-4-9/h5H,1-4,6,11H2,(H,12,13)
InChIKeyWNICJMLGZPEGCL-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine

N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine (PubChem CID 83157009) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine
PubChem CID83157009
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine
SMILESNCC1(Nc2nc(Cl)cs2)CCCC1
InChIInChI=1S/C9H14ClN3S/c10-7-5-14-8(12-7)13-9(6-11)3-1-2-4-9/h5H,1-4,6,11H2,(H,12,13)
InChIKeyWNICJMLGZPEGCL-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine (CID 83157009) is N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine is NCC1(Nc2nc(Cl)cs2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine?
The InChIKey is WNICJMLGZPEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c10-7-5-14-8(12-7)13-9(6-11)3-1-2-4-9/h5H,1-4,6,11H2,(H,12,13).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine?
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 83157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).