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

C16H25N3S — CID 66405985

IUPAC2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCCCc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1
InChIInChI=1S/C16H25N3S/c1-5-6-15-18-14(12-20-15)11-19-8-7-13(10-19)9-17-16(2,3)4/h7-8,10,12,17H,5-6,9,11H2,1-4H3
InChIKeyKVECADLOXUIFQP-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.83
Rot. Bonds6

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

2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66405985) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66405985
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCCCc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1
InChIInChI=1S/C16H25N3S/c1-5-6-15-18-14(12-20-15)11-19-8-7-13(10-19)9-17-16(2,3)4/h7-8,10,12,17H,5-6,9,11H2,1-4H3
InChIKeyKVECADLOXUIFQP-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.83
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-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66405985) is 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is CCCc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1.
What is the InChIKey of 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is KVECADLOXUIFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-6-15-18-14(12-20-15)11-19-8-7-13(10-19)9-17-16(2,3)4/h7-8,10,12,17H,5-6,9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 3.83, 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-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66405985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).