5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine

C10H18N4S — CID 103362877

IUPAC5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCN1CCCC1)c1cc(N)ns1
InChIInChI=1S/C10H18N4S/c1-13(10-8-9(11)12-15-10)6-7-14-4-2-3-5-14/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyCVOJUMWTVIEQOT-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.26
Rot. Bonds4

About 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine

5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103362877) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103362877
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCN1CCCC1)c1cc(N)ns1
InChIInChI=1S/C10H18N4S/c1-13(10-8-9(11)12-15-10)6-7-14-4-2-3-5-14/h8H,2-7H2,1H3,(H2,11,12)
InChIKeyCVOJUMWTVIEQOT-UHFFFAOYSA-N
XLogP1.26
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine (CID 103362877) is 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine is CN(CCN1CCCC1)c1cc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is CVOJUMWTVIEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-13(10-8-9(11)12-15-10)6-7-14-4-2-3-5-14/h8H,2-7H2,1H3,(H2,11,12).
What are the key properties of 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).