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

C10H16ClN3S — CID 83153002

IUPAC4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C10H16ClN3S/c1-2-14-4-3-8(6-14)5-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyWLOFCUVUNQAABR-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.55
Rot. Bonds4

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

4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 83153002) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID83153002
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCN1CCC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C10H16ClN3S/c1-2-14-4-3-8(6-14)5-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyWLOFCUVUNQAABR-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
7-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 60857378
N-[(3-aminocyclopentyl)methyl]-4-chloro-1,3-thiazol-2-amine
CID 130582361
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142498
2-amino-2-[2-[(1-ethylpiperidin-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527698
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789803
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
CID 83152530
N-[(1-ethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169706
6-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865283
4-chloro-N-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 83153628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine (CID 83153002) is 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine is CCN1CCC(CNc2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WLOFCUVUNQAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-2-14-4-3-8(6-14)5-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine?
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83153002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).