N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine

C9H14ClN3S — CID 130582361

IUPACN-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
SMILESNC1CCC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C9H14ClN3S/c10-8-5-14-9(13-8)12-4-6-1-2-7(11)3-6/h5-7H,1-4,11H2,(H,12,13)
InChIKeyFJQJUUFHQXFUIG-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.34
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine

N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine (PubChem CID 130582361) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
PubChem CID130582361
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC NameN-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
SMILESNC1CCC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C9H14ClN3S/c10-8-5-14-9(13-8)12-4-6-1-2-7(11)3-6/h5-7H,1-4,11H2,(H,12,13)
InChIKeyFJQJUUFHQXFUIG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 83153628
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 83153002
2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 83153384
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]pyrrolidin-2-one
CID 131097833
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
CID 83152530
N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 114146982
4-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 83152644
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 106125836
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 83156155
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine (CID 130582361) is N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine is NC1CCC(CNc2nc(Cl)cs2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine?
The InChIKey is FJQJUUFHQXFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c10-8-5-14-9(13-8)12-4-6-1-2-7(11)3-6/h5-7H,1-4,11H2,(H,12,13).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine?
N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine has a molecular weight of 231.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 130582361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).