5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

C11H20N4S — CID 103359396

IUPAC5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N1CCC(CNc2cc(N)ns2)C1
InChIInChI=1S/C11H20N4S/c1-8(2)15-4-3-9(7-15)6-13-11-5-10(12)14-16-11/h5,8-9,13H,3-4,6-7H2,1-2H3,(H2,12,14)
InChIKeyHMWZJZOOUBORMI-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.87
Rot. Bonds4

About 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359396) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359396
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N1CCC(CNc2cc(N)ns2)C1
InChIInChI=1S/C11H20N4S/c1-8(2)15-4-3-9(7-15)6-13-11-5-10(12)14-16-11/h5,8-9,13H,3-4,6-7H2,1-2H3,(H2,12,14)
InChIKeyHMWZJZOOUBORMI-UHFFFAOYSA-N
XLogP1.87
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 113807103
5-(3,4-Dimethylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103359089
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359189
5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103359279
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103359353
5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
CID 103359361
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359379
4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359393
5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359427

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359396) is 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is CC(C)N1CCC(CNc2cc(N)ns2)C1.
What is the InChIKey of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HMWZJZOOUBORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)15-4-3-9(7-15)6-13-11-5-10(12)14-16-11/h5,8-9,13H,3-4,6-7H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).