5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C10H17N3S2 — CID 120901300

IUPAC5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCSCC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3S2/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12)
InChIKeyYJSMMQFRRHWSCS-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.05
Rot. Bonds4

About 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120901300) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120901300
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCSCC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3S2/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12)
InChIKeyYJSMMQFRRHWSCS-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120901300) is 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CSCC1CCCN1Cc1cnc(N)s1.
What is the InChIKey of 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is YJSMMQFRRHWSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12).
What are the key properties of 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 243.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).