N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine

C15H28N4S — CID 62263594

IUPACN-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H28N4S/c1-4-15(3,12-16-5-2)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3
InChIKeyHRABXLOZKGONBL-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.29
Rot. Bonds7

About N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine

N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine (PubChem CID 62263594) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
PubChem CID62263594
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H28N4S/c1-4-15(3,12-16-5-2)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3
InChIKeyHRABXLOZKGONBL-UHFFFAOYSA-N
XLogP2.29
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
CID 65250704
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105072687

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine (CID 62263594) is N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine is CCNCC(C)(CC)CN1CCN(c2nccs2)CC1.
What is the InChIKey of N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine?
The InChIKey is HRABXLOZKGONBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-15(3,12-16-5-2)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine?
N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine is sourced from PubChem (CID 62263594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).