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

C15H27N3S — CID 82427637

IUPAC2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CCN2CCCC2)sc1CNCC(C)C
InChIInChI=1S/C15H27N3S/c1-12(2)10-16-11-14-13(3)17-15(19-14)6-9-18-7-4-5-8-18/h12,16H,4-11H2,1-3H3
InChIKeyVSUBPXAXIOMBFV-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.84
Rot. Bonds7

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

2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82427637) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82427637
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(CCN2CCCC2)sc1CNCC(C)C
InChIInChI=1S/C15H27N3S/c1-12(2)10-16-11-14-13(3)17-15(19-14)6-9-18-7-4-5-8-18/h12,16H,4-11H2,1-3H3
InChIKeyVSUBPXAXIOMBFV-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193773
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[[2-(cyclohexylsulfanylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65144559
2-methyl-N-[(4-methyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62766049
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
4-methyl-N-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386501
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82427637) is 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(CCN2CCCC2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is VSUBPXAXIOMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12(2)10-16-11-14-13(3)17-15(19-14)6-9-18-7-4-5-8-18/h12,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82427637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).