2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

C14H21N3S — CID 66407027

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCc1ncc(Cn2ccc(CNCC(C)C)c2)s1
InChIInChI=1S/C14H21N3S/c1-11(2)6-15-7-13-4-5-17(9-13)10-14-8-16-12(3)18-14/h4-5,8-9,11,15H,6-7,10H2,1-3H3
InChIKeyXKIASYNUWXTOMR-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 66407027) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID66407027
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCc1ncc(Cn2ccc(CNCC(C)C)c2)s1
InChIInChI=1S/C14H21N3S/c1-11(2)6-15-7-13-4-5-17(9-13)10-14-8-16-12(3)18-14/h4-5,8-9,11,15H,6-7,10H2,1-3H3
InChIKeyXKIASYNUWXTOMR-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine (CID 66407027) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is Cc1ncc(Cn2ccc(CNCC(C)C)c2)s1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is XKIASYNUWXTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)6-15-7-13-4-5-17(9-13)10-14-8-16-12(3)18-14/h4-5,8-9,11,15H,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66407027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).