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

C14H21N3S — CID 66405995

IUPAC2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1
InChIInChI=1S/C14H21N3S/c1-11-16-13(10-18-11)9-17-6-5-12(8-17)7-15-14(2,3)4/h5-6,8,10,15H,7,9H2,1-4H3
InChIKeyMRSKCDZBPTUKPE-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.19
Rot. Bonds4

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

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66405995) 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-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66405995
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1
InChIInChI=1S/C14H21N3S/c1-11-16-13(10-18-11)9-17-6-5-12(8-17)7-15-14(2,3)4/h5-6,8,10,15H,7,9H2,1-4H3
InChIKeyMRSKCDZBPTUKPE-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methyl-N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405985
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 115332686
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
CID 82991105
N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-[(3,4-dimethylphenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403975
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404949
N-[[1-(1-benzothiophen-3-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66405988
N-[[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66403968
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404727
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66405995) is 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is Cc1nc(Cn2ccc(CNC(C)(C)C)c2)cs1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is MRSKCDZBPTUKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11-16-13(10-18-11)9-17-6-5-12(8-17)7-15-14(2,3)4/h5-6,8,10,15H,7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.19, 4 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-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66405995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).