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

C15H23N3S — CID 66404949

IUPACN-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H23N3S/c1-11(2)15-17-14(10-19-15)9-18-6-5-13(8-18)7-16-12(3)4/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyYYENIVRKOSKKFW-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.61
Rot. Bonds6

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

N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66404949) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66404949
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2csc(C(C)C)n2)c1
InChIInChI=1S/C15H23N3S/c1-11(2)15-17-14(10-19-15)9-18-6-5-13(8-18)7-16-12(3)4/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyYYENIVRKOSKKFW-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404727
N,2-dimethyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096969
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114930907
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405951
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404959
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66404949) is N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(Cc2csc(C(C)C)n2)c1.
What is the InChIKey of N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is YYENIVRKOSKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11(2)15-17-14(10-19-15)9-18-6-5-13(8-18)7-16-12(3)4/h5-6,8,10-12,16H,7,9H2,1-4H3.
What are the key properties of N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66404949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).