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

C14H26N4S — CID 62573951

IUPAC2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)(C)NCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-4-14(2,3)16-5-7-17-8-10-18(11-9-17)13-15-6-12-19-13/h6,12,16H,4-5,7-11H2,1-3H3
InChIKeyIUDONFUBLQPJRN-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.04
Rot. Bonds6

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

2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine (PubChem CID 62573951) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
PubChem CID62573951
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
SMILESCCC(C)(C)NCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-4-14(2,3)16-5-7-17-8-10-18(11-9-17)13-15-6-12-19-13/h6,12,16H,4-5,7-11H2,1-3H3
InChIKeyIUDONFUBLQPJRN-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
CID 62263594
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
CID 62573949
2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
CID 65250704
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine (CID 62573951) is 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine is CCC(C)(C)NCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine?
The InChIKey is IUDONFUBLQPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-14(2,3)16-5-7-17-8-10-18(11-9-17)13-15-6-12-19-13/h6,12,16H,4-5,7-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine?
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine is sourced from PubChem (CID 62573951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).