N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

C15H25N3S — CID 82438000

IUPACN-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1sc(N2CCCC2)nc1C1CC1
InChIInChI=1S/C15H25N3S/c1-3-11(2)16-10-13-14(12-6-7-12)17-15(19-13)18-8-4-5-9-18/h11-12,16H,3-10H2,1-2H3
InChIKeyOCOIXZBJVDVEBR-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 82438000) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID82438000
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1sc(N2CCCC2)nc1C1CC1
InChIInChI=1S/C15H25N3S/c1-3-11(2)16-10-13-14(12-6-7-12)17-15(19-13)18-8-4-5-9-18/h11-12,16H,3-10H2,1-2H3
InChIKeyOCOIXZBJVDVEBR-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[4-cyclopropyl-2-(3-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102968538
N-[[4-cyclopropyl-2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63916963
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82437005
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63918188

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 82438000) is N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1sc(N2CCCC2)nc1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is OCOIXZBJVDVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-11(2)16-10-13-14(12-6-7-12)17-15(19-13)18-8-4-5-9-18/h11-12,16H,3-10H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 82438000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).