1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine

C16H28N4S — CID 82437884

IUPAC1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCN(CCc2nc(C3CC3)c(C(C)N)s2)CC1
InChIInChI=1S/C16H28N4S/c1-3-19-8-10-20(11-9-19)7-6-14-18-15(13-4-5-13)16(21-14)12(2)17/h12-13H,3-11,17H2,1-2H3
InChIKeyRTCWQMJEAMFVAI-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.22
Rot. Bonds6

About 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine

1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 82437884) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID82437884
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCN(CCc2nc(C3CC3)c(C(C)N)s2)CC1
InChIInChI=1S/C16H28N4S/c1-3-19-8-10-20(11-9-19)7-6-14-18-15(13-4-5-13)16(21-14)12(2)17/h12-13H,3-11,17H2,1-2H3
InChIKeyRTCWQMJEAMFVAI-UHFFFAOYSA-N
XLogP2.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
1-[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436801
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436767
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435434
[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437914
1-[4-ethyl-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82430826
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227605
1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435460
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
CID 82436993

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine (CID 82437884) is 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine is CCN1CCN(CCc2nc(C3CC3)c(C(C)N)s2)CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RTCWQMJEAMFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-3-19-8-10-20(11-9-19)7-6-14-18-15(13-4-5-13)16(21-14)12(2)17/h12-13H,3-11,17H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 308.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82437884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).