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

C14H25N3S — CID 82433121

IUPACN-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCN2CCCC2)sc1CNC
InChIInChI=1S/C14H25N3S/c1-3-6-12-13(11-15-2)18-14(16-12)7-10-17-8-4-5-9-17/h15H,3-11H2,1-2H3
InChIKeyCJNGKADAJAESOY-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.45
Rot. Bonds7

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

N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82433121) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82433121
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CCN2CCCC2)sc1CNC
InChIInChI=1S/C14H25N3S/c1-3-6-12-13(11-15-2)18-14(16-12)7-10-17-8-4-5-9-17/h15H,3-11H2,1-2H3
InChIKeyCJNGKADAJAESOY-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433170
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430785
2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82433136
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82435477
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
[2-(2-morpholin-4-ylethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82433206
N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432115
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine (CID 82433121) is N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine is CCCc1nc(CCN2CCCC2)sc1CNC.
What is the InChIKey of N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CJNGKADAJAESOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-6-12-13(11-15-2)18-14(16-12)7-10-17-8-4-5-9-17/h15H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82433121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).