N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H28N4S — CID 64544175

IUPACN-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C15H28N4S/c1-5-8-16-12(2)14-11-20-15(17-14)19-9-6-7-13(19)10-18(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyCXGUVBAMJYJWDU-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544175) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544175
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C15H28N4S/c1-5-8-16-12(2)14-11-20-15(17-14)19-9-6-7-13(19)10-18(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyCXGUVBAMJYJWDU-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544175) is N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CCCC2CN(C)C)n1.
What is the InChIKey of N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is CXGUVBAMJYJWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-8-16-12(2)14-11-20-15(17-14)19-9-6-7-13(19)10-18(3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).