N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H28N4S — CID 82430617

IUPACN-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(CN2CCN(CC)CC2)sc1CNC1CC1
InChIInChI=1S/C16H28N4S/c1-3-14-15(11-17-13-5-6-13)21-16(18-14)12-20-9-7-19(4-2)8-10-20/h13,17H,3-12H2,1-2H3
InChIKeyACSXUZJIXVUMIT-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.10
Rot. Bonds7

About N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82430617) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82430617
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(CN2CCN(CC)CC2)sc1CNC1CC1
InChIInChI=1S/C16H28N4S/c1-3-14-15(11-17-13-5-6-13)21-16(18-14)12-20-9-7-19(4-2)8-10-20/h13,17H,3-12H2,1-2H3
InChIKeyACSXUZJIXVUMIT-UHFFFAOYSA-N
XLogP2.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430768
N-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427431
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
N-[[2-[(2-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841820
N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841868
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82430617) is N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(CN2CCN(CC)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ACSXUZJIXVUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-3-14-15(11-17-13-5-6-13)21-16(18-14)12-20-9-7-19(4-2)8-10-20/h13,17H,3-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 308.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82430617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).