N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine

C13H23N3S — CID 11821116

IUPACN,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(N2CCCC2)cs1
InChIInChI=1S/C13H23N3S/c1-3-7-16(8-4-2)13-14-12(11-17-13)15-9-5-6-10-15/h11H,3-10H2,1-2H3
InChIKeyYDTBBDSEYAEONW-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.37
Rot. Bonds6

About N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine

N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine (PubChem CID 11821116) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine
PubChem CID11821116
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine
SMILESCCCN(CCC)c1nc(N2CCCC2)cs1
InChIInChI=1S/C13H23N3S/c1-3-7-16(8-4-2)13-14-12(11-17-13)15-9-5-6-10-15/h11H,3-10H2,1-2H3
InChIKeyYDTBBDSEYAEONW-UHFFFAOYSA-N
XLogP3.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine?
The IUPAC name of N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine (CID 11821116) is N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine is CCCN(CCC)c1nc(N2CCCC2)cs1.
What is the InChIKey of N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine?
The InChIKey is YDTBBDSEYAEONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)13-14-12(11-17-13)15-9-5-6-10-15/h11H,3-10H2,1-2H3.
What are the key properties of N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine?
N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-pyrrolidin-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 11821116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).